
Isothiocyanates
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Benzyl isothiocyanate, 98%
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: isothiocyanatomethylbenzene 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 | isothiocyanatomethylbenzene |
Clé InChI | MDKCFLQDBWCQCV-UHFFFAOYSA-N |
SMILES | C1=CC=C(C=C1)CN=C=S |
Formule moléculaire | C8H7NS |
4-Methoxybenzyl isothiocyanate, 95%
CAS: 3694-57-3 Formule moléculaire: C9H9NOS Poids moléculaire (g/mol): 179.24 Numéro MDL: MFCD00041117 Clé InChI: IMFQYAJJXFXVMM-UHFFFAOYSA-N Synonyme: 4-methoxybenzyl isothiocyanate,1-isothiocyanatomethyl-4-methoxybenzene,4-methoxybenzylisothiocyanate,benzene, 1-isothiocyanatomethyl-4-methoxy,p-methoxybenzyl isothiocyanate,1-isothiocyanatomethyl-4-methoxy-benzene,chembl81201,4-methoxybenzyl isothiocyanate 5gr,acmc-1cq6l CID PubChem: 123197 Nom IUPAC: 1-(isothiocyanatomethyl)-4-methoxybenzene SMILES: COC1=CC=C(C=C1)CN=C=S
Poids moléculaire (g/mol) | 179.24 |
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Synonyme | 4-methoxybenzyl isothiocyanate,1-isothiocyanatomethyl-4-methoxybenzene,4-methoxybenzylisothiocyanate,benzene, 1-isothiocyanatomethyl-4-methoxy,p-methoxybenzyl isothiocyanate,1-isothiocyanatomethyl-4-methoxy-benzene,chembl81201,4-methoxybenzyl isothiocyanate 5gr,acmc-1cq6l |
Numéro MDL | MFCD00041117 |
CAS | 3694-57-3 |
CID PubChem | 123197 |
Nom IUPAC | 1-(isothiocyanatomethyl)-4-methoxybenzene |
Clé InChI | IMFQYAJJXFXVMM-UHFFFAOYSA-N |
SMILES | COC1=CC=C(C=C1)CN=C=S |
Formule moléculaire | C9H9NOS |
2-Methoxyethyl isothiocyanate, 98+%
CAS: 38663-85-3 Formule moléculaire: C4H7NOS Poids moléculaire (g/mol): 117.166 Numéro MDL: MFCD00041126 Clé InChI: HTSAVXAFEVUJQE-UHFFFAOYSA-N Synonyme: 2-methoxyethyl isothiocyanate,ethane, 1-isothiocyanato-2-methoxy,2-methoxyethylisothiocyanate,1-isothiocyanato-2-methoxy-ethane,1-isothiocyanato-2-methoxyethane,2-methoxyethanisothiocyanate,acmc-1aezw,2-methoxy ethyl isothiocyanate,#,ethane,1-isothiocyanato-2-methoxy CID PubChem: 123475 Nom IUPAC: 1-isothiocyanato-2-methoxyethane SMILES: COCCN=C=S
Poids moléculaire (g/mol) | 117.166 |
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Synonyme | 2-methoxyethyl isothiocyanate,ethane, 1-isothiocyanato-2-methoxy,2-methoxyethylisothiocyanate,1-isothiocyanato-2-methoxy-ethane,1-isothiocyanato-2-methoxyethane,2-methoxyethanisothiocyanate,acmc-1aezw,2-methoxy ethyl isothiocyanate,#,ethane,1-isothiocyanato-2-methoxy |
Numéro MDL | MFCD00041126 |
CAS | 38663-85-3 |
CID PubChem | 123475 |
Nom IUPAC | 1-isothiocyanato-2-methoxyethane |
Clé InChI | HTSAVXAFEVUJQE-UHFFFAOYSA-N |
SMILES | COCCN=C=S |
Formule moléculaire | C4H7NOS |
4-Nitrophenyl isothiocyanate, 97%
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-nitrobenzene 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-nitrobenzene |
Clé InChI | NXHSSIGRWJENBH-UHFFFAOYSA-N |
SMILES | C1=CC(=CC=C1N=C=S)[N+](=O)[O-] |
Formule moléculaire | C7H4N2O2S |
3-Carboxyphenyl isothiocyanate, 97%
CAS: 2131-63-7 Formule moléculaire: C8H5NO2S Poids moléculaire (g/mol): 179.193 Numéro MDL: MFCD00041367 Clé InChI: PJRBPKOOGLKPFB-UHFFFAOYSA-N Synonyme: 3-carboxyphenyl isothiocyanate,3-carboxyphenylisothiocyanate,benzoic acid, 3-isothiocyanato,benzoic acid,3-isothiocyanato,acmc-20an7x,m-carboxyphenyl isothiocyanate,3-isothiocyanato-benzoic acid,# CID PubChem: 75046 Nom IUPAC: 3-isothiocyanatobenzoic acid SMILES: C1=CC(=CC(=C1)N=C=S)C(=O)O
Poids moléculaire (g/mol) | 179.193 |
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Synonyme | 3-carboxyphenyl isothiocyanate,3-carboxyphenylisothiocyanate,benzoic acid, 3-isothiocyanato,benzoic acid,3-isothiocyanato,acmc-20an7x,m-carboxyphenyl isothiocyanate,3-isothiocyanato-benzoic acid,# |
Numéro MDL | MFCD00041367 |
CAS | 2131-63-7 |
CID PubChem | 75046 |
Nom IUPAC | 3-isothiocyanatobenzoic acid |
Clé InChI | PJRBPKOOGLKPFB-UHFFFAOYSA-N |
SMILES | C1=CC(=CC(=C1)N=C=S)C(=O)O |
Formule moléculaire | C8H5NO2S |
4-Methylbenzyl isothiocyanate, 96%
CAS: 3694-46-0 Formule moléculaire: C9H9NS Poids moléculaire (g/mol): 163.238 Numéro MDL: MFCD00041118 Clé InChI: OAXIUBJXQISJEV-UHFFFAOYSA-N Synonyme: 4-methylbenzyl isothiocyanate,1-isothiocyanatomethyl-4-methylbenzene,p-methylbenzyl isothiocyanate,benzene, 1-isothiocyanatomethyl-4-methyl,isothiocyanic acid, p-methylbenzyl ester,benzene, 1-isothiocyanatomethyl-4-methyl-9ci,acmc-1cobu,4-methylbenzylisothiocyanate,wln: scn1r d1,4-12-00-02578 beilstein handbook reference CID PubChem: 19409 Nom IUPAC: 1-(isothiocyanatomethyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)CN=C=S
Poids moléculaire (g/mol) | 163.238 |
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Synonyme | 4-methylbenzyl isothiocyanate,1-isothiocyanatomethyl-4-methylbenzene,p-methylbenzyl isothiocyanate,benzene, 1-isothiocyanatomethyl-4-methyl,isothiocyanic acid, p-methylbenzyl ester,benzene, 1-isothiocyanatomethyl-4-methyl-9ci,acmc-1cobu,4-methylbenzylisothiocyanate,wln: scn1r d1,4-12-00-02578 beilstein handbook reference |
Numéro MDL | MFCD00041118 |
CAS | 3694-46-0 |
CID PubChem | 19409 |
Nom IUPAC | 1-(isothiocyanatomethyl)-4-methylbenzene |
Clé InChI | OAXIUBJXQISJEV-UHFFFAOYSA-N |
SMILES | CC1=CC=C(C=C1)CN=C=S |
Formule moléculaire | C9H9NS |
2-(4-Morpholinyl)ethyl isothiocyanate, 97%, Thermo Scientific Chemicals
CAS: 63224-35-1 Formule moléculaire: C7H12N2OS Poids moléculaire (g/mol): 172.25 Numéro MDL: MFCD00041221 Clé InChI: SDNSCXCXVQHBGH-UHFFFAOYSA-N Synonyme: 2-morpholinoethyl isothiocyanate,4-2-isothiocyanatoethyl morpholine,2-4-morpholino ethyl isothiocyanate,2-morpholinoethylisothiocyanate,4-2-isothiocyanato-ethyl-morpholine,2-morpholin-4-ylethanisothiocyanate,2-4-morpholinyl ethyl isothiocyanate,4-2-isothiocyanatoethyl morpholine # CID PubChem: 143957 Nom IUPAC: 4-(2-isothiocyanatoethyl)morpholine SMILES: S=C=NCCN1CCOCC1
Poids moléculaire (g/mol) | 172.25 |
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Synonyme | 2-morpholinoethyl isothiocyanate,4-2-isothiocyanatoethyl morpholine,2-4-morpholino ethyl isothiocyanate,2-morpholinoethylisothiocyanate,4-2-isothiocyanato-ethyl-morpholine,2-morpholin-4-ylethanisothiocyanate,2-4-morpholinyl ethyl isothiocyanate,4-2-isothiocyanatoethyl morpholine # |
Numéro MDL | MFCD00041221 |
CAS | 63224-35-1 |
CID PubChem | 143957 |
Nom IUPAC | 4-(2-isothiocyanatoethyl)morpholine |
Clé InChI | SDNSCXCXVQHBGH-UHFFFAOYSA-N |
SMILES | S=C=NCCN1CCOCC1 |
Formule moléculaire | C7H12N2OS |
Cyclopropyl isothiocyanate, 97%
CAS: 56601-42-4 Formule moléculaire: C4H5NS Poids moléculaire (g/mol): 99.15 Numéro MDL: MFCD00040874 Clé InChI: JGFBQFKZKSSODQ-UHFFFAOYSA-N Synonyme: cyclopropyl isothiocyanate,cyclopropane, isothiocyanato,isothiocyanato-cyclopropane,cyclopropylisothiocyanate,acmc-20albt,pubchem22785,cyclopropyl iso-thiocyanate,cyclopropane,isothiocyanato CID PubChem: 92463 Nom IUPAC: isothiocyanatocyclopropane SMILES: S=C=NC1CC1
Poids moléculaire (g/mol) | 99.15 |
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Synonyme | cyclopropyl isothiocyanate,cyclopropane, isothiocyanato,isothiocyanato-cyclopropane,cyclopropylisothiocyanate,acmc-20albt,pubchem22785,cyclopropyl iso-thiocyanate,cyclopropane,isothiocyanato |
Numéro MDL | MFCD00040874 |
CAS | 56601-42-4 |
CID PubChem | 92463 |
Nom IUPAC | isothiocyanatocyclopropane |
Clé InChI | JGFBQFKZKSSODQ-UHFFFAOYSA-N |
SMILES | S=C=NC1CC1 |
Formule moléculaire | C4H5NS |
4-(Ethoxycarbonyl)phenyl isothiocyanate, 97%
CAS: 1205-06-7 Formule moléculaire: C10H9NO2S Poids moléculaire (g/mol): 207.247 Numéro MDL: MFCD00022058 Clé InChI: MLOJHUCMCKBDLV-UHFFFAOYSA-N Synonyme: 4-ethoxycarbonylphenyl isothiocyanate,4-ethoxycarbonylphenylisothiocyanate,benzoic acid, 4-isothiocyanato-, ethyl ester,4-ethoxycarbonyl phenyl isothiocyanate,ethyl p-isothiocyanatobenzoate,4-ethoxycarbonylphenyl-isothiocyanate,benzoic acid,4-isothiocyanato-, ethyl ester,acmc-1brcn,p-carbethoxyphenylisothiocyanate,# CID PubChem: 71003 Nom IUPAC: ethyl 4-isothiocyanatobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)N=C=S
Poids moléculaire (g/mol) | 207.247 |
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Synonyme | 4-ethoxycarbonylphenyl isothiocyanate,4-ethoxycarbonylphenylisothiocyanate,benzoic acid, 4-isothiocyanato-, ethyl ester,4-ethoxycarbonyl phenyl isothiocyanate,ethyl p-isothiocyanatobenzoate,4-ethoxycarbonylphenyl-isothiocyanate,benzoic acid,4-isothiocyanato-, ethyl ester,acmc-1brcn,p-carbethoxyphenylisothiocyanate,# |
Numéro MDL | MFCD00022058 |
CAS | 1205-06-7 |
CID PubChem | 71003 |
Nom IUPAC | ethyl 4-isothiocyanatobenzoate |
Clé InChI | MLOJHUCMCKBDLV-UHFFFAOYSA-N |
SMILES | CCOC(=O)C1=CC=C(C=C1)N=C=S |
Formule moléculaire | C10H9NO2S |
3-Cyanophenyl isothiocyanate, 97%
CAS: 3125-78-8 Formule moléculaire: C8H4N2S Poids moléculaire (g/mol): 160.19 Numéro MDL: MFCD00041070 Clé InChI: UXCYPHCFQAFVFH-UHFFFAOYSA-N Synonyme: 3-cyanophenyl isothiocyanate,benzonitrile, 3-isothiocyanato,m-cyanophenyl isothiocyanate,3-cyanophenylisothiocyanate,acmc-1bn6o,benzonitrile,3-isothiocyanato,3-isothiocyanatobenzenecarbonitrile CID PubChem: 76578 Nom IUPAC: 3-isothiocyanatobenzonitrile SMILES: S=C=NC1=CC=CC(=C1)C#N
Poids moléculaire (g/mol) | 160.19 |
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Synonyme | 3-cyanophenyl isothiocyanate,benzonitrile, 3-isothiocyanato,m-cyanophenyl isothiocyanate,3-cyanophenylisothiocyanate,acmc-1bn6o,benzonitrile,3-isothiocyanato,3-isothiocyanatobenzenecarbonitrile |
Numéro MDL | MFCD00041070 |
CAS | 3125-78-8 |
CID PubChem | 76578 |
Nom IUPAC | 3-isothiocyanatobenzonitrile |
Clé InChI | UXCYPHCFQAFVFH-UHFFFAOYSA-N |
SMILES | S=C=NC1=CC=CC(=C1)C#N |
Formule moléculaire | C8H4N2S |
2,6-Dichlorophenyl isothiocyanate, 98+%
CAS: 6590-95-0 Formule moléculaire: C7H3Cl2NS Poids moléculaire (g/mol): 204.07 Numéro MDL: MFCD00041056 Clé InChI: SUCGVQHNGIQXGD-UHFFFAOYSA-N Synonyme: 2,6-dichlorophenyl isothiocyanate,2,6-dichlorophenylisothiocyanate,benzene, 1,3-dichloro-2-isothiocyanato,1,3-dichloro-2-isothiocyanato-benzene,benzene,1,3-dichloro-2-isothiocyanato,c7h3c12ns,2,6-dichlorobenzenisothiocyanate,2,6-dichlorophenyl-isothiocyanate,1,3-dichloro-2-thioisocyanato-benzene,2,6-dichloro-1-isothiocyanato-benzene CID PubChem: 123239 Nom IUPAC: 1,3-dichloro-2-isothiocyanatobenzene SMILES: ClC1=CC=CC(Cl)=C1N=C=S
Poids moléculaire (g/mol) | 204.07 |
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Synonyme | 2,6-dichlorophenyl isothiocyanate,2,6-dichlorophenylisothiocyanate,benzene, 1,3-dichloro-2-isothiocyanato,1,3-dichloro-2-isothiocyanato-benzene,benzene,1,3-dichloro-2-isothiocyanato,c7h3c12ns,2,6-dichlorobenzenisothiocyanate,2,6-dichlorophenyl-isothiocyanate,1,3-dichloro-2-thioisocyanato-benzene,2,6-dichloro-1-isothiocyanato-benzene |
Numéro MDL | MFCD00041056 |
CAS | 6590-95-0 |
CID PubChem | 123239 |
Nom IUPAC | 1,3-dichloro-2-isothiocyanatobenzene |
Clé InChI | SUCGVQHNGIQXGD-UHFFFAOYSA-N |
SMILES | ClC1=CC=CC(Cl)=C1N=C=S |
Formule moléculaire | C7H3Cl2NS |
p-Phenylene diisothiocyanate, 99%
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-diisothiocyanatobenzene 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-diisothiocyanatobenzene |
Clé InChI | OMWQUXGVXQELIX-UHFFFAOYSA-N |
SMILES | C1=CC(=CC=C1N=C=S)N=C=S |
Formule moléculaire | C8H4N2S2 |
2,3-Dichlorophenyl isothiocyanate, 97%
CAS: 6590-97-2 Formule moléculaire: C7H3Cl2NS Poids moléculaire (g/mol): 204.07 Numéro MDL: MFCD00041048 Clé InChI: RQZIODPVCCTBAQ-UHFFFAOYSA-N CID PubChem: 2796281 Nom IUPAC: 1,2-dichloro-3-isothiocyanatobenzene SMILES: ClC1=CC=CC(N=C=S)=C1Cl
Poids moléculaire (g/mol) | 204.07 |
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Numéro MDL | MFCD00041048 |
CAS | 6590-97-2 |
CID PubChem | 2796281 |
Nom IUPAC | 1,2-dichloro-3-isothiocyanatobenzene |
Clé InChI | RQZIODPVCCTBAQ-UHFFFAOYSA-N |
SMILES | ClC1=CC=CC(N=C=S)=C1Cl |
Formule moléculaire | C7H3Cl2NS |
4-Ethylphenyl isothiocyanate, 97%, Thermo Scientific Chemicals
CAS: 18856-63-8 Formule moléculaire: C9H9NS Poids moléculaire (g/mol): 163.24 Numéro MDL: MFCD00041101 Clé InChI: XXLWCGRHJFEMQH-UHFFFAOYSA-N Synonyme: 4-ethylphenyl isothiocyanate,1-ethyl-4-isothiocyanato-benzene,benzene,1-ethyl-4-isothiocyanato,4-ethylbenzenisothiocyanate,acmc-20amit,2-p-isothio-cyanatophenyl ethane,# CID PubChem: 140438 Nom IUPAC: 1-ethyl-4-isothiocyanatobenzene SMILES: CCC1=CC=C(C=C1)N=C=S
Poids moléculaire (g/mol) | 163.24 |
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Synonyme | 4-ethylphenyl isothiocyanate,1-ethyl-4-isothiocyanato-benzene,benzene,1-ethyl-4-isothiocyanato,4-ethylbenzenisothiocyanate,acmc-20amit,2-p-isothio-cyanatophenyl ethane,# |
Numéro MDL | MFCD00041101 |
CAS | 18856-63-8 |
CID PubChem | 140438 |
Nom IUPAC | 1-ethyl-4-isothiocyanatobenzene |
Clé InChI | XXLWCGRHJFEMQH-UHFFFAOYSA-N |
SMILES | CCC1=CC=C(C=C1)N=C=S |
Formule moléculaire | C9H9NS |