Isothiocyanates

Isothiocyanates
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Isothiocyanate d’allyle, 94 %, stabilisé avec 0,01 % d’alpha-tocophérol, Thermo Scientific Chemicals
CAS: 57-06-7 Numéro MDL: MFCD00004822 Clé InChI: ZOJBYZNEUISWFT-UHFFFAOYSA-N Synonyme: allyl isothiocyanate,mustard oil,redskin,allylsenevol,allylsenfoel,allyl mustard oil,oleum sinapis,oil of mustard,allylsevenolum,senfoel CID PubChem: 5971 ChEBI: CHEBI:73224 Nom IUPAC: 3-isothiocyanatoprop-1-ène SMILES: C=CCN=C=S
Synonyme | allyl isothiocyanate,mustard oil,redskin,allylsenevol,allylsenfoel,allyl mustard oil,oleum sinapis,oil of mustard,allylsevenolum,senfoel |
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Numéro MDL | MFCD00004822 |
CAS | 57-06-7 |
CID PubChem | 5971 |
ChEBI | CHEBI:73224 |
Nom IUPAC | 3-isothiocyanatoprop-1-ène |
Clé InChI | ZOJBYZNEUISWFT-UHFFFAOYSA-N |
SMILES | C=CCN=C=S |
Isothiocyanate de phényl, 97 %, Thermo Scientific Chemicals
CAS: 103-72-0 Formule moléculaire: C7H5NS Poids moléculaire (g/mol): 135.18 Numéro MDL: MFCD00004798 Clé InChI: QKFJKGMPGYROCL-UHFFFAOYSA-N Synonyme: phenyl isothiocyanate,phenylisothiocyanate,thiocarbanil,phenyl mustard oil,benzene, isothiocyanato,pitc,isothiocyanic acid phenyl ester,benzene-1-isothiocyanate,phenylsenfoel,phenyl thioisocyanate CID PubChem: 7673 ChEBI: CHEBI:85103 Nom IUPAC: isothiocyanatobenzène SMILES: S=C=NC1=CC=CC=C1
Poids moléculaire (g/mol) | 135.18 |
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Synonyme | phenyl isothiocyanate,phenylisothiocyanate,thiocarbanil,phenyl mustard oil,benzene, isothiocyanato,pitc,isothiocyanic acid phenyl ester,benzene-1-isothiocyanate,phenylsenfoel,phenyl thioisocyanate |
Numéro MDL | MFCD00004798 |
CAS | 103-72-0 |
CID PubChem | 7673 |
ChEBI | CHEBI:85103 |
Nom IUPAC | isothiocyanatobenzène |
Clé InChI | QKFJKGMPGYROCL-UHFFFAOYSA-N |
SMILES | S=C=NC1=CC=CC=C1 |
Formule moléculaire | C7H5NS |
Isothiocyanate de 1-octyl, 97 %, Thermo Scientific Chemicals
CAS: 4430-45-9 Formule moléculaire: C9H17NS Poids moléculaire (g/mol): 171.30 Numéro MDL: MFCD00041139 Clé InChI: YEZHGQZHWKJPCM-UHFFFAOYSA-N Synonyme: octyl isothiocyanate,n-octyl isothiocyanate,octylisothiocyanate,1-octyl isothiocyanate,octanisothiocyanate,1-isothiocyanatooctan,octane, 1-isothiocyanato,isothiocyanic acid, octyl ester,n-octylisothiocyanate,acmc-1ajcy CID PubChem: 78161 Nom IUPAC: 1-isothiocyanatooctane SMILES: CCCCCCCCN=C=S
Poids moléculaire (g/mol) | 171.30 |
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Synonyme | octyl isothiocyanate,n-octyl isothiocyanate,octylisothiocyanate,1-octyl isothiocyanate,octanisothiocyanate,1-isothiocyanatooctan,octane, 1-isothiocyanato,isothiocyanic acid, octyl ester,n-octylisothiocyanate,acmc-1ajcy |
Numéro MDL | MFCD00041139 |
CAS | 4430-45-9 |
CID PubChem | 78161 |
Nom IUPAC | 1-isothiocyanatooctane |
Clé InChI | YEZHGQZHWKJPCM-UHFFFAOYSA-N |
SMILES | CCCCCCCCN=C=S |
Formule moléculaire | C9H17NS |
Isothiocyanate de 4-nitrophényle, 97 %, Thermo Scientific Chemicals
CAS: 2131-61-5 Formule moléculaire: C7H4N2O2S Poids moléculaire (g/mol): 180.181 Numéro MDL: MFCD00007307 Clé InChI: NXHSSIGRWJENBH-UHFFFAOYSA-N Synonyme: 4-nitrophenyl isothiocyanate,4-nitrophenylisothiocyanate,p-nitrophenyl isothiocyanate,benzene, 1-isothiocyanato-4-nitro,isothiocyanic acid 4-nitrophenyl ester,1-isothiocyanato-4-nitro-benzene,4-nitrobenzenisothiocyanate,4-nitrophenyl isothiocyanate 25gr,pubchem13428,4nitrophenyl isothiocyanate CID PubChem: 75044 Nom IUPAC: 1-isothiocyanato-4-nitrobenzène SMILES: C1=CC(=CC=C1N=C=S)[N+](=O)[O-]
Poids moléculaire (g/mol) | 180.181 |
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Synonyme | 4-nitrophenyl isothiocyanate,4-nitrophenylisothiocyanate,p-nitrophenyl isothiocyanate,benzene, 1-isothiocyanato-4-nitro,isothiocyanic acid 4-nitrophenyl ester,1-isothiocyanato-4-nitro-benzene,4-nitrobenzenisothiocyanate,4-nitrophenyl isothiocyanate 25gr,pubchem13428,4nitrophenyl isothiocyanate |
Numéro MDL | MFCD00007307 |
CAS | 2131-61-5 |
CID PubChem | 75044 |
Nom IUPAC | 1-isothiocyanato-4-nitrobenzène |
Clé InChI | NXHSSIGRWJENBH-UHFFFAOYSA-N |
SMILES | C1=CC(=CC=C1N=C=S)[N+](=O)[O-] |
Formule moléculaire | C7H4N2O2S |
Diisothiocyanate de p-phénylène, 99 %, Thermo Scientific Chemicals
CAS: 4044-65-9 Formule moléculaire: C8H4N2S2 Poids moléculaire (g/mol): 192.27 Numéro MDL: MFCD00004811 Clé InChI: OMWQUXGVXQELIX-UHFFFAOYSA-N Synonyme: bitoscanate,1,4-phenylene diisothiocyanate,jonit,p-phenylene diisothiocyanate,benzene, 1,4-diisothiocyanato,bitoscanat,bitoscanate inn,phenylene thiocyanate,bitoscanatum latin,1,4-phenylenediisothiocyanate CID PubChem: 19958 Nom IUPAC: 1,4-diisothiocyanatobenzène SMILES: C1=CC(=CC=C1N=C=S)N=C=S
Poids moléculaire (g/mol) | 192.27 |
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Synonyme | bitoscanate,1,4-phenylene diisothiocyanate,jonit,p-phenylene diisothiocyanate,benzene, 1,4-diisothiocyanato,bitoscanat,bitoscanate inn,phenylene thiocyanate,bitoscanatum latin,1,4-phenylenediisothiocyanate |
Numéro MDL | MFCD00004811 |
CAS | 4044-65-9 |
CID PubChem | 19958 |
Nom IUPAC | 1,4-diisothiocyanatobenzène |
Clé InChI | OMWQUXGVXQELIX-UHFFFAOYSA-N |
SMILES | C1=CC(=CC=C1N=C=S)N=C=S |
Formule moléculaire | C8H4N2S2 |
Isothiocyanate de propyle, 97 %, Thermo Scientific™
CAS: 628-30-8 Formule moléculaire: C4H7NS Poids moléculaire (g/mol): 101.167 Numéro MDL: MFCD00004823 Clé InChI: KKASGUHLXWAKEZ-UHFFFAOYSA-N Synonyme: propyl isothiocyanate,propylisothiocyanate,propane, 1-isothiocyanato,n-propyl isothiocyanate,isothiocyanic acid propyl ester,isothiocyanic acid, propyl ester,isothiocyanic acid n-propyl ester,1-propyl isothiocyanate,propanisothiocyanate,1-isothiocyanatopropan CID PubChem: 69403 Nom IUPAC: 1-isothiocyanatopropane SMILES: CCCN=C=S
Poids moléculaire (g/mol) | 101.167 |
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Synonyme | propyl isothiocyanate,propylisothiocyanate,propane, 1-isothiocyanato,n-propyl isothiocyanate,isothiocyanic acid propyl ester,isothiocyanic acid, propyl ester,isothiocyanic acid n-propyl ester,1-propyl isothiocyanate,propanisothiocyanate,1-isothiocyanatopropan |
Numéro MDL | MFCD00004823 |
CAS | 628-30-8 |
CID PubChem | 69403 |
Nom IUPAC | 1-isothiocyanatopropane |
Clé InChI | KKASGUHLXWAKEZ-UHFFFAOYSA-N |
SMILES | CCCN=C=S |
Formule moléculaire | C4H7NS |
Isothiocyanate d’isopropyle, 97 %, Thermo Scientific Chemicals
CAS: 2253-73-8 Formule moléculaire: C4H7NS Poids moléculaire (g/mol): 101.167 Numéro MDL: MFCD00037830 Clé InChI: VHBFEIBMZHEWSX-UHFFFAOYSA-N Synonyme: isopropyl isothiocyanate,isothiocyanic acid isopropyl ester,isopropylisothiocyanate,propane, 2-isothiocyanato,unii-46561pkp9t,isopropyl mustard oil,2-isothiocyanato-propane,propan-2-isothiocyanate,ipncs,isopropyl isothiocya CID PubChem: 75263 Nom IUPAC: 2-isothiocyanatopropane SMILES: CC(C)N=C=S
Poids moléculaire (g/mol) | 101.167 |
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Synonyme | isopropyl isothiocyanate,isothiocyanic acid isopropyl ester,isopropylisothiocyanate,propane, 2-isothiocyanato,unii-46561pkp9t,isopropyl mustard oil,2-isothiocyanato-propane,propan-2-isothiocyanate,ipncs,isopropyl isothiocya |
Numéro MDL | MFCD00037830 |
CAS | 2253-73-8 |
CID PubChem | 75263 |
Nom IUPAC | 2-isothiocyanatopropane |
Clé InChI | VHBFEIBMZHEWSX-UHFFFAOYSA-N |
SMILES | CC(C)N=C=S |
Formule moléculaire | C4H7NS |
Phénétyleisothiocyanate, 97 %, Thermo Scientific™
CAS: 2257-09-2 Formule moléculaire: C9H9NS Poids moléculaire (g/mol): 163.24 Numéro MDL: MFCD00004821 Clé InChI: IZJDOKYDEWTZSO-UHFFFAOYSA-N Synonyme: 2-phenylethyl isothiocyanate,phenethyl isothiocyanate,phenylethyl isothiocyanate,2-isothiocyanatoethyl benzene,phenethyl mustard oil,phenylaethylsenfoel,benzene, 2-isothiocyanatoethyl,peitc,phenylethyl mustard oil,2-phenylethylisothiocyanate CID PubChem: 16741 ChEBI: CHEBI:351346 Nom IUPAC: 2-isothiocyanatoéthylbenzène SMILES: C1=CC=C(C=C1)CCN=C=S
Poids moléculaire (g/mol) | 163.24 |
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Synonyme | 2-phenylethyl isothiocyanate,phenethyl isothiocyanate,phenylethyl isothiocyanate,2-isothiocyanatoethyl benzene,phenethyl mustard oil,phenylaethylsenfoel,benzene, 2-isothiocyanatoethyl,peitc,phenylethyl mustard oil,2-phenylethylisothiocyanate |
Numéro MDL | MFCD00004821 |
CAS | 2257-09-2 |
CID PubChem | 16741 |
ChEBI | CHEBI:351346 |
Nom IUPAC | 2-isothiocyanatoéthylbenzène |
Clé InChI | IZJDOKYDEWTZSO-UHFFFAOYSA-N |
SMILES | C1=CC=C(C=C1)CCN=C=S |
Formule moléculaire | C9H9NS |
Phényl isothiocyanate, 98 %, Thermo Scientific Chemicals
CAS: 103-72-0 Formule moléculaire: C7H5NS Poids moléculaire (g/mol): 135.18 Numéro MDL: MFCD00004798 Clé InChI: QKFJKGMPGYROCL-UHFFFAOYSA-N Synonyme: phenyl isothiocyanate,phenylisothiocyanate,thiocarbanil,phenyl mustard oil,benzene, isothiocyanato,pitc,isothiocyanic acid phenyl ester,benzene-1-isothiocyanate,phenylsenfoel,phenyl thioisocyanate CID PubChem: 7673 ChEBI: CHEBI:85103 Nom IUPAC: isothiocyanatobenzène SMILES: S=C=NC1=CC=CC=C1
Poids moléculaire (g/mol) | 135.18 |
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Synonyme | phenyl isothiocyanate,phenylisothiocyanate,thiocarbanil,phenyl mustard oil,benzene, isothiocyanato,pitc,isothiocyanic acid phenyl ester,benzene-1-isothiocyanate,phenylsenfoel,phenyl thioisocyanate |
Numéro MDL | MFCD00004798 |
CAS | 103-72-0 |
CID PubChem | 7673 |
ChEBI | CHEBI:85103 |
Nom IUPAC | isothiocyanatobenzène |
Clé InChI | QKFJKGMPGYROCL-UHFFFAOYSA-N |
SMILES | S=C=NC1=CC=CC=C1 |
Formule moléculaire | C7H5NS |
4-(méthoxycarbonyl)phényl isothiocyanate, 98+ %, Thermo Scientific Chemicals
CAS: 3662-78-0 Formule moléculaire: C9H7NO2S Poids moléculaire (g/mol): 193.22 Numéro MDL: MFCD00041099 Clé InChI: WIZODHILGBTPPA-UHFFFAOYSA-N Synonyme: 4-methoxycarbonylphenyl isothiocyanate,4-methoxycarbonylphenylisothiocyanate,4-isothiocyanatobenzoic acid methyl ester,benzoic acid, 4-isothiocyanato-, methyl ester,acmc-20amez,#,4-methoxycarbonyl phenylisothiocyanate,4-methoxycarbonyl phenyl isothiocyanate CID PubChem: 138002 Nom IUPAC: methyl 4-isothiocyanatobenzoate SMILES: COC(=O)C1=CC=C(C=C1)N=C=S
Poids moléculaire (g/mol) | 193.22 |
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Synonyme | 4-methoxycarbonylphenyl isothiocyanate,4-methoxycarbonylphenylisothiocyanate,4-isothiocyanatobenzoic acid methyl ester,benzoic acid, 4-isothiocyanato-, methyl ester,acmc-20amez,#,4-methoxycarbonyl phenylisothiocyanate,4-methoxycarbonyl phenyl isothiocyanate |
Numéro MDL | MFCD00041099 |
CAS | 3662-78-0 |
CID PubChem | 138002 |
Nom IUPAC | methyl 4-isothiocyanatobenzoate |
Clé InChI | WIZODHILGBTPPA-UHFFFAOYSA-N |
SMILES | COC(=O)C1=CC=C(C=C1)N=C=S |
Formule moléculaire | C9H7NO2S |
Isothiocyanate d’allyle, 94 %, stab., Thermo Scientific Chemicals
CAS: 57-06-7 Formule moléculaire: C4H5NS Poids moléculaire (g/mol): 99.151 Numéro MDL: MFCD00004822 Clé InChI: ZOJBYZNEUISWFT-UHFFFAOYSA-N Synonyme: allyl isothiocyanate,mustard oil,redskin,allylsenevol,allylsenfoel,allyl mustard oil,oleum sinapis,oil of mustard,allylsevenolum,senfoel CID PubChem: 5971 ChEBI: CHEBI:73224 Nom IUPAC: 3-isothiocyanatoprop-1-ène SMILES: C=CCN=C=S
Poids moléculaire (g/mol) | 99.151 |
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Synonyme | allyl isothiocyanate,mustard oil,redskin,allylsenevol,allylsenfoel,allyl mustard oil,oleum sinapis,oil of mustard,allylsevenolum,senfoel |
Numéro MDL | MFCD00004822 |
CAS | 57-06-7 |
CID PubChem | 5971 |
ChEBI | CHEBI:73224 |
Nom IUPAC | 3-isothiocyanatoprop-1-ène |
Clé InChI | ZOJBYZNEUISWFT-UHFFFAOYSA-N |
SMILES | C=CCN=C=S |
Formule moléculaire | C4H5NS |
Méthyl-2-isothiocyanatobenzoate, 97 %, Thermo Scientific™
CAS: 16024-82-1 Formule moléculaire: C9H7NO2S Poids moléculaire (g/mol): 193.22 Numéro MDL: MFCD00041062 Clé InChI: UNXVHBOJSCWVCD-UHFFFAOYSA-N Synonyme: 2-isothiocyanato-benzoic acid methyl ester,2-methoxycarbonylphenyl isothiocyanate,2-methoxycarbonyl phenyl isothiocyanate,benzoic acid,2-isothiocyanato-, methyl ester,benzoic acid, 2-isothiocyanato-, methyl ester,acmc-209dkr,methyl2-isothiocyanatobenzoate,methyl 2-isothiocyanato benzoate,methyl 2-isothiocyanatobenzenecarboxylate,2-isothiocyanatobenzoic acid methyl ester CID PubChem: 85243 Nom IUPAC: methyl 2-isothiocyanatobenzoate SMILES: COC(=O)C1=CC=CC=C1N=C=S
Poids moléculaire (g/mol) | 193.22 |
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Synonyme | 2-isothiocyanato-benzoic acid methyl ester,2-methoxycarbonylphenyl isothiocyanate,2-methoxycarbonyl phenyl isothiocyanate,benzoic acid,2-isothiocyanato-, methyl ester,benzoic acid, 2-isothiocyanato-, methyl ester,acmc-209dkr,methyl2-isothiocyanatobenzoate,methyl 2-isothiocyanato benzoate,methyl 2-isothiocyanatobenzenecarboxylate,2-isothiocyanatobenzoic acid methyl ester |
Numéro MDL | MFCD00041062 |
CAS | 16024-82-1 |
CID PubChem | 85243 |
Nom IUPAC | methyl 2-isothiocyanatobenzoate |
Clé InChI | UNXVHBOJSCWVCD-UHFFFAOYSA-N |
SMILES | COC(=O)C1=CC=CC=C1N=C=S |
Formule moléculaire | C9H7NO2S |
Isothiocyanate de 4-éthyloxyphényl, 97 %, Thermo Scientific™
CAS: 3460-49-9 Formule moléculaire: C9H9NOS Poids moléculaire (g/mol): 179.237 Clé InChI: REEKOMRZYJXXNR-UHFFFAOYSA-N Synonyme: 4-ethoxyphenyl isothiocyanate,4-isothiocyanatophenetol,p-ethoxyphenyl isothiocyanate,1-ethoxy-4-isothiocyanato-benzene,benzene, 1-ethoxy-4-isothiocyanato,4-ethoxyphenylisothiocyanate,4-ethoxybenzenisothiocyanate,acmc-20amjc,pubchem9560,p-ethoxyphenylisothiocyanate CID PubChem: 77006 Nom IUPAC: 1-éthoxy-4-isothiocyanatobenzène SMILES: CCOC1=CC=C(C=C1)N=C=S
Poids moléculaire (g/mol) | 179.237 |
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Synonyme | 4-ethoxyphenyl isothiocyanate,4-isothiocyanatophenetol,p-ethoxyphenyl isothiocyanate,1-ethoxy-4-isothiocyanato-benzene,benzene, 1-ethoxy-4-isothiocyanato,4-ethoxyphenylisothiocyanate,4-ethoxybenzenisothiocyanate,acmc-20amjc,pubchem9560,p-ethoxyphenylisothiocyanate |
CAS | 3460-49-9 |
CID PubChem | 77006 |
Nom IUPAC | 1-éthoxy-4-isothiocyanatobenzène |
Clé InChI | REEKOMRZYJXXNR-UHFFFAOYSA-N |
SMILES | CCOC1=CC=C(C=C1)N=C=S |
Formule moléculaire | C9H9NOS |
Isothiocyanate de 1-butyle, 98+ %, Thermo Scientific Chemicals
CAS: 592-82-5 Formule moléculaire: C5H9NS Poids moléculaire (g/mol): 115.19 Numéro MDL: MFCD00004824 Clé InChI: LIMQQADUEULBSO-UHFFFAOYSA-N Synonyme: butyl isothiocyanate,n-butyl isothiocyanate,butyl mustard oil,butane, 1-isothiocyanato,1-butyl isothiocyanate,butylisothiocyanate,isothiocyanic acid, butyl ester,isothiocyanic acid n-butyl ester,1-isothiocyanato-butane,butanisothiocyanate CID PubChem: 11613 ChEBI: CHEBI:50534 Nom IUPAC: 1-isothiocyanatobutane SMILES: CCCCN=C=S
Poids moléculaire (g/mol) | 115.19 |
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Synonyme | butyl isothiocyanate,n-butyl isothiocyanate,butyl mustard oil,butane, 1-isothiocyanato,1-butyl isothiocyanate,butylisothiocyanate,isothiocyanic acid, butyl ester,isothiocyanic acid n-butyl ester,1-isothiocyanato-butane,butanisothiocyanate |
Numéro MDL | MFCD00004824 |
CAS | 592-82-5 |
CID PubChem | 11613 |
ChEBI | CHEBI:50534 |
Nom IUPAC | 1-isothiocyanatobutane |
Clé InChI | LIMQQADUEULBSO-UHFFFAOYSA-N |
SMILES | CCCCN=C=S |
Formule moléculaire | C5H9NS |
Isothiocyanate de benzyle, 98 %, Thermo Scientific Chemicals
CAS: 622-78-6 Formule moléculaire: C8H7NS Poids moléculaire (g/mol): 149.22 Numéro MDL: MFCD00004819 Clé InChI: MDKCFLQDBWCQCV-UHFFFAOYSA-N Synonyme: benzyl isothiocyanate,isothiocyanatomethyl benzene,benzyl mustard oil,benzylisothiocyanate,benzylsenfoel,tromacaps,tromalyt,urogran,isothiocyanic acid, benzyl ester,benzyl-isothiocyanate CID PubChem: 2346 ChEBI: CHEBI:17484 Nom IUPAC: isothiocyanatométhylbenzène SMILES: C1=CC=C(C=C1)CN=C=S
Poids moléculaire (g/mol) | 149.22 |
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Synonyme | benzyl isothiocyanate,isothiocyanatomethyl benzene,benzyl mustard oil,benzylisothiocyanate,benzylsenfoel,tromacaps,tromalyt,urogran,isothiocyanic acid, benzyl ester,benzyl-isothiocyanate |
Numéro MDL | MFCD00004819 |
CAS | 622-78-6 |
CID PubChem | 2346 |
ChEBI | CHEBI:17484 |
Nom IUPAC | isothiocyanatométhylbenzène |
Clé InChI | MDKCFLQDBWCQCV-UHFFFAOYSA-N |
SMILES | C1=CC=C(C=C1)CN=C=S |
Formule moléculaire | C8H7NS |