Organosulfur Compounds
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MP Biomedicals, Inc Diphenyl Sulfoxide, MP Biomedicals
CAS: 945-51-7 Molecular Formula: C12H10OS Molecular Weight (g/mol): 202.271 InChI Key: JJHHIJFTHRNPIK-UHFFFAOYSA-N Synonym: diphenyl sulfoxide,phenyl sulfoxide,sulfinyldibenzene,phenylsulfinylbenzene,diphenyl sulphoxide,sulfoxide, diphenyl,diphenylsulfoxide,benzene, 1,1'-sulfinylbis,1,1'-sulfinyldibenzene,phenylsulfinyl benzene PubChem CID: 13679 IUPAC Name: benzenesulfinylbenzene SMILES: C1=CC=C(C=C1)S(=O)C2=CC=CC=C2
| PubChem CID | 13679 |
|---|---|
| CAS | 945-51-7 |
| Molecular Weight (g/mol) | 202.271 |
| SMILES | C1=CC=C(C=C1)S(=O)C2=CC=CC=C2 |
| Synonym | diphenyl sulfoxide,phenyl sulfoxide,sulfinyldibenzene,phenylsulfinylbenzene,diphenyl sulphoxide,sulfoxide, diphenyl,diphenylsulfoxide,benzene, 1,1'-sulfinylbis,1,1'-sulfinyldibenzene,phenylsulfinyl benzene |
| IUPAC Name | benzenesulfinylbenzene |
| InChI Key | JJHHIJFTHRNPIK-UHFFFAOYSA-N |
| Molecular Formula | C12H10OS |
MP Biomedicals, Inc Diisopropylxanthogen Disulfide, MP Biomedicals
CAS: 105-65-7 Molecular Formula: C8H14O2S4 Molecular Weight (g/mol): 270.438 InChI Key: ZWWQICJTBOCQLA-UHFFFAOYSA-N Synonym: diproxide,isopropylxanthic disulfide,diproxid,diisopropyl xanthogen disulfide,o,o-diisopropyl dithiobis thioformate,diisopropylxanthogen,diisopropyl dixanthogen,bis isopropylxanthogen,diisopropylxanthogen disulfide,diisopropyl xanthogenate PubChem CID: 66923 IUPAC Name: O-propan-2-yl (propan-2-yloxycarbothioyldisulfanyl)methanethioate SMILES: CC(C)OC(=S)SSC(=S)OC(C)C
| PubChem CID | 66923 |
|---|---|
| CAS | 105-65-7 |
| Molecular Weight (g/mol) | 270.438 |
| SMILES | CC(C)OC(=S)SSC(=S)OC(C)C |
| Synonym | diproxide,isopropylxanthic disulfide,diproxid,diisopropyl xanthogen disulfide,o,o-diisopropyl dithiobis thioformate,diisopropylxanthogen,diisopropyl dixanthogen,bis isopropylxanthogen,diisopropylxanthogen disulfide,diisopropyl xanthogenate |
| IUPAC Name | O-propan-2-yl (propan-2-yloxycarbothioyldisulfanyl)methanethioate |
| InChI Key | ZWWQICJTBOCQLA-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2S4 |
Bis(2-nitrophenyl) disulfide, 98%, Thermo Scientific™
CAS: 1155-00-6 Molecular Formula: C12H8N2O4S2 Molecular Weight (g/mol): 308.33 MDL Number: MFCD00007130 InChI Key: NXCKJENHTITELM-UHFFFAOYSA-N Synonym: bis 2-nitrophenyl disulfide,disulfide, bis 2-nitrophenyl,2,2'-dinitrodiphenyl disulfide,o-nitrophenyl disulfide,2-nitrophenyl disulfide,o,o'-dinitrodiphenyl disulfide,disulfide, bis o-nitrophenyl,bis o-nitrophenyl disulfide,1,2-bis 2-nitrophenyl disulfane PubChem CID: 70861 IUPAC Name: 1-nitro-2-[(2-nitrophenyl)disulfanyl]benzene SMILES: [O-][N+](=O)C1=CC=CC=C1SSC1=CC=CC=C1[N+]([O-])=O
| PubChem CID | 70861 |
|---|---|
| CAS | 1155-00-6 |
| Molecular Weight (g/mol) | 308.33 |
| MDL Number | MFCD00007130 |
| SMILES | [O-][N+](=O)C1=CC=CC=C1SSC1=CC=CC=C1[N+]([O-])=O |
| Synonym | bis 2-nitrophenyl disulfide,disulfide, bis 2-nitrophenyl,2,2'-dinitrodiphenyl disulfide,o-nitrophenyl disulfide,2-nitrophenyl disulfide,o,o'-dinitrodiphenyl disulfide,disulfide, bis o-nitrophenyl,bis o-nitrophenyl disulfide,1,2-bis 2-nitrophenyl disulfane |
| IUPAC Name | 1-nitro-2-[(2-nitrophenyl)disulfanyl]benzene |
| InChI Key | NXCKJENHTITELM-UHFFFAOYSA-N |
| Molecular Formula | C12H8N2O4S2 |
Benzimidazole-6-thiocarboxamide, 97%, Thermo Scientific™
CAS: 1520864-90-7 Molecular Formula: C8H7N3S Molecular Weight (g/mol): 177.225 InChI Key: SWADWMCPVIOXDO-UHFFFAOYSA-N Synonym: benzimidazole-6-thiocarboxamide,1h-benzo d imidazole-6-carbothioamide,3h-1,3-benzodiazole-5-carbothioamide PubChem CID: 82490593 IUPAC Name: 3H-benzimidazole-5-carbothioamide SMILES: C1=CC2=C(C=C1C(=S)N)NC=N2
| PubChem CID | 82490593 |
|---|---|
| CAS | 1520864-90-7 |
| Molecular Weight (g/mol) | 177.225 |
| SMILES | C1=CC2=C(C=C1C(=S)N)NC=N2 |
| Synonym | benzimidazole-6-thiocarboxamide,1h-benzo d imidazole-6-carbothioamide,3h-1,3-benzodiazole-5-carbothioamide |
| IUPAC Name | 3H-benzimidazole-5-carbothioamide |
| InChI Key | SWADWMCPVIOXDO-UHFFFAOYSA-N |
| Molecular Formula | C8H7N3S |
2,2-Diethoxyethanethioamide, 97%, Thermo Scientific™
CAS: 73956-15-7 Molecular Formula: C6H13NO2S Molecular Weight (g/mol): 163.235 MDL Number: MFCD06658986 InChI Key: MQSDGAKLSVITHP-UHFFFAOYSA-N PubChem CID: 2794734 IUPAC Name: 2,2-diethoxyethanethioamide SMILES: CCOC(C(=S)N)OCC
| PubChem CID | 2794734 |
|---|---|
| CAS | 73956-15-7 |
| Molecular Weight (g/mol) | 163.235 |
| MDL Number | MFCD06658986 |
| SMILES | CCOC(C(=S)N)OCC |
| IUPAC Name | 2,2-diethoxyethanethioamide |
| InChI Key | MQSDGAKLSVITHP-UHFFFAOYSA-N |
| Molecular Formula | C6H13NO2S |
3-Methyl-4-nitrothiobenzamide, 97%, Thermo Scientific™
CAS: 886364-22-3 Molecular Formula: C8H8N2O2S Molecular Weight (g/mol): 196.224 MDL Number: MFCD06738330 InChI Key: QNPFIXDGSZDAGC-UHFFFAOYSA-N Synonym: 3-methyl-4-nitrothiobenzamide,3-methyl-4-nitrobenzothioamide,3-methyl-4-nitrobenzene-1-carbothioamide PubChem CID: 55255791 IUPAC Name: 3-methyl-4-nitrobenzenecarbothioamide SMILES: CC1=C(C=CC(=C1)C(=S)N)[N+](=O)[O-]
| PubChem CID | 55255791 |
|---|---|
| CAS | 886364-22-3 |
| Molecular Weight (g/mol) | 196.224 |
| MDL Number | MFCD06738330 |
| SMILES | CC1=C(C=CC(=C1)C(=S)N)[N+](=O)[O-] |
| Synonym | 3-methyl-4-nitrothiobenzamide,3-methyl-4-nitrobenzothioamide,3-methyl-4-nitrobenzene-1-carbothioamide |
| IUPAC Name | 3-methyl-4-nitrobenzenecarbothioamide |
| InChI Key | QNPFIXDGSZDAGC-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O2S |
Ethyl Isothiocyanate 99+%, Thermo Scientific™
CAS: 542-85-8 Molecular Formula: C3H5NS Molecular Weight (g/mol): 87.14 InChI Key: HBNYJWAFDZLWRS-UHFFFAOYSA-N Synonym: ethyl isothiocyanate,ethane, isothiocyanato,ethyl mustard oil,ethylisothiocyanate,isothiocyanic acid, ethyl ester,unii-3284mj2t8p,ccris 7323,ethylisothio-cyanate,isothiocyanato-ethane PubChem CID: 10966 ChEBI: CHEBI:85098 IUPAC Name: isothiocyanatoethane SMILES: CCN=C=S
| PubChem CID | 10966 |
|---|---|
| CAS | 542-85-8 |
| Molecular Weight (g/mol) | 87.14 |
| ChEBI | CHEBI:85098 |
| SMILES | CCN=C=S |
| Synonym | ethyl isothiocyanate,ethane, isothiocyanato,ethyl mustard oil,ethylisothiocyanate,isothiocyanic acid, ethyl ester,unii-3284mj2t8p,ccris 7323,ethylisothio-cyanate,isothiocyanato-ethane |
| IUPAC Name | isothiocyanatoethane |
| InChI Key | HBNYJWAFDZLWRS-UHFFFAOYSA-N |
| Molecular Formula | C3H5NS |
S-Benzylisothiouronium chloride, 98+%, Thermo Scientific™
CAS: 538-28-3 Molecular Formula: C8H11ClN2S Molecular Weight (g/mol): 202.7 MDL Number: MFCD00012583 InChI Key: WJAASTDRAAMYNK-UHFFFAOYSA-N Synonym: s-benzylisothiourea hydrochloride,2-benzyl-2-thiopseudourea hydrochloride,btkh,s-benzylthiuronium chloride,benzyl carbamimidothioate hydrochloride,s-benzylthiouronium chloride,benzylisothiourea hydrochloride,benzylthiuronium chloride,2-benzylisothiouronium chloride,benzylisothiuronium chloride PubChem CID: 10852 IUPAC Name: benzyl carbamimidothioate;hydrochloride SMILES: C1=CC=C(C=C1)CSC(=N)N.Cl
| PubChem CID | 10852 |
|---|---|
| CAS | 538-28-3 |
| Molecular Weight (g/mol) | 202.7 |
| MDL Number | MFCD00012583 |
| SMILES | C1=CC=C(C=C1)CSC(=N)N.Cl |
| Synonym | s-benzylisothiourea hydrochloride,2-benzyl-2-thiopseudourea hydrochloride,btkh,s-benzylthiuronium chloride,benzyl carbamimidothioate hydrochloride,s-benzylthiouronium chloride,benzylisothiourea hydrochloride,benzylthiuronium chloride,2-benzylisothiouronium chloride,benzylisothiuronium chloride |
| IUPAC Name | benzyl carbamimidothioate;hydrochloride |
| InChI Key | WJAASTDRAAMYNK-UHFFFAOYSA-N |
| Molecular Formula | C8H11ClN2S |
Isobutyl isothiocyanate, 97%, Thermo Scientific™
CAS: 591-82-2 Molecular Formula: C5H9NS Molecular Weight (g/mol): 115.194 MDL Number: MFCD00022062 InChI Key: NSDDRJXKROCWRZ-UHFFFAOYSA-N Synonym: isobutyl isothiocyanate,i-butyl isothiocyanate,isobutylisothiocyanate,2-methylpropyl isothiocyanate,isothiocyanic acid, isobutyl ester,1-isothiocyanato-2-methyl-propane,unii-a498zc6z4f,isothiocyanic acid isobutyl ester,propane, 1-isothiocyanato-2-methyl,propane, 1-isothiocyanato-2-methyl-9ci PubChem CID: 68960 IUPAC Name: 1-isothiocyanato-2-methylpropane SMILES: CC(C)CN=C=S
| PubChem CID | 68960 |
|---|---|
| CAS | 591-82-2 |
| Molecular Weight (g/mol) | 115.194 |
| MDL Number | MFCD00022062 |
| SMILES | CC(C)CN=C=S |
| Synonym | isobutyl isothiocyanate,i-butyl isothiocyanate,isobutylisothiocyanate,2-methylpropyl isothiocyanate,isothiocyanic acid, isobutyl ester,1-isothiocyanato-2-methyl-propane,unii-a498zc6z4f,isothiocyanic acid isobutyl ester,propane, 1-isothiocyanato-2-methyl,propane, 1-isothiocyanato-2-methyl-9ci |
| IUPAC Name | 1-isothiocyanato-2-methylpropane |
| InChI Key | NSDDRJXKROCWRZ-UHFFFAOYSA-N |
| Molecular Formula | C5H9NS |
4-Isothiocyanato-TEMPO, Free Radical 95%, Thermo Scientific™
CAS: 36410-81-8 Molecular Formula: C10H17N2OS Molecular Weight (g/mol): 213.32 MDL Number: MFCD00010109 InChI Key: BKENZAFIBRCMKD-UHFFFAOYSA-N Synonym: 4-isothiocyanato-2,2,6,6-tetramethylpiperidine 1-oxyl,4-isothiocyanato-tempo,4-isothiocyanato-2,2,6,6-tetramethylpiperidinooxyl,4-itc-tempo,4-isothiocyanato-1,4-isothiocyanato-2,2,6,6-tetramethyl-1-piperidinyloxy,4-isothiocyanato-2,2,6,6-tetramethylpiperidinooxy radical,1-piperidinyloxy, 4-isothiocyanato-2,2,6,6-tetramethyl,4-isothiocyanato-tempo, for esr-spectroscopy,4-isothiocyanato-2,2,6,6-tetramethyl-1-piperidinyloxy, free radical PubChem CID: 147645 IUPAC Name: (4-isothiocyanato-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl SMILES: CC1(C)CC(CC(C)(C)N1[O])N=C=S
| PubChem CID | 147645 |
|---|---|
| CAS | 36410-81-8 |
| Molecular Weight (g/mol) | 213.32 |
| MDL Number | MFCD00010109 |
| SMILES | CC1(C)CC(CC(C)(C)N1[O])N=C=S |
| Synonym | 4-isothiocyanato-2,2,6,6-tetramethylpiperidine 1-oxyl,4-isothiocyanato-tempo,4-isothiocyanato-2,2,6,6-tetramethylpiperidinooxyl,4-itc-tempo,4-isothiocyanato-1,4-isothiocyanato-2,2,6,6-tetramethyl-1-piperidinyloxy,4-isothiocyanato-2,2,6,6-tetramethylpiperidinooxy radical,1-piperidinyloxy, 4-isothiocyanato-2,2,6,6-tetramethyl,4-isothiocyanato-tempo, for esr-spectroscopy,4-isothiocyanato-2,2,6,6-tetramethyl-1-piperidinyloxy, free radical |
| IUPAC Name | (4-isothiocyanato-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl |
| InChI Key | BKENZAFIBRCMKD-UHFFFAOYSA-N |
| Molecular Formula | C10H17N2OS |
Cyclopentyl isothiocyanate, 98%, Thermo Scientific™
CAS: 33522-03-1 Molecular Formula: C6H9NS Molecular Weight (g/mol): 127.205 MDL Number: MFCD00040877 InChI Key: PJOODZCPFADLCI-UHFFFAOYSA-N Synonym: cyclopentyl isothiocyanate,cyclopentane, isothiocyanato,isothiocyanato-cyclopentane,cyclopentanisothiocyanate,cyclopentylisothiocyanate,acmc-20albz PubChem CID: 141792 IUPAC Name: isothiocyanatocyclopentane SMILES: C1CCC(C1)N=C=S
| PubChem CID | 141792 |
|---|---|
| CAS | 33522-03-1 |
| Molecular Weight (g/mol) | 127.205 |
| MDL Number | MFCD00040877 |
| SMILES | C1CCC(C1)N=C=S |
| Synonym | cyclopentyl isothiocyanate,cyclopentane, isothiocyanato,isothiocyanato-cyclopentane,cyclopentanisothiocyanate,cyclopentylisothiocyanate,acmc-20albz |
| IUPAC Name | isothiocyanatocyclopentane |
| InChI Key | PJOODZCPFADLCI-UHFFFAOYSA-N |
| Molecular Formula | C6H9NS |
2-Methoxyethyl isothiocyanate, 98%, Thermo Scientific™
CAS: 38663-85-3 Molecular Formula: C4H7NOS Molecular Weight (g/mol): 117.166 InChI Key: HTSAVXAFEVUJQE-UHFFFAOYSA-N Synonym: 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 PubChem CID: 123475 IUPAC Name: 1-isothiocyanato-2-methoxyethane SMILES: COCCN=C=S
| PubChem CID | 123475 |
|---|---|
| CAS | 38663-85-3 |
| Molecular Weight (g/mol) | 117.166 |
| SMILES | COCCN=C=S |
| Synonym | 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 |
| IUPAC Name | 1-isothiocyanato-2-methoxyethane |
| InChI Key | HTSAVXAFEVUJQE-UHFFFAOYSA-N |
| Molecular Formula | C4H7NOS |
o-Tolyl isothiocyanate, 99%
CAS: 614-69-7 MDL Number: MFCD00004802 InChI Key: JYKYYPPZLPVIBY-UHFFFAOYSA-N Synonym: 2-methylphenyl isothiocyanate,o-tolyl isothiocyanate,2-tolyl isothiocyanate,o-tolylisothiocyanate,benzene, 1-isothiocyanato-2-methyl,1-isothiocyanato-2-methyl-benzene,2-methylphenylisothiocyanate,isothiocyanic acid o-tolyl ester,isothiocyanic acid, o-tolyl ester,2-methylbenzenisothiocyanate PubChem CID: 69195 IUPAC Name: 1-isothiocyanato-2-methylbenzene SMILES: CC1=CC=CC=C1N=C=S
| PubChem CID | 69195 |
|---|---|
| CAS | 614-69-7 |
| MDL Number | MFCD00004802 |
| SMILES | CC1=CC=CC=C1N=C=S |
| Synonym | 2-methylphenyl isothiocyanate,o-tolyl isothiocyanate,2-tolyl isothiocyanate,o-tolylisothiocyanate,benzene, 1-isothiocyanato-2-methyl,1-isothiocyanato-2-methyl-benzene,2-methylphenylisothiocyanate,isothiocyanic acid o-tolyl ester,isothiocyanic acid, o-tolyl ester,2-methylbenzenisothiocyanate |
| IUPAC Name | 1-isothiocyanato-2-methylbenzene |
| InChI Key | JYKYYPPZLPVIBY-UHFFFAOYSA-N |
3-Pyridyl isothiocyanate, ≥95%, Thermo Scientific™
CAS: 17452-27-6 Molecular Formula: C6H4N2S Molecular Weight (g/mol): 136.172 MDL Number: MFCD00052351 InChI Key: VMSZFBSYWXMXRF-UHFFFAOYSA-N Synonym: 3-pyridyl isothiocyanate,pyridine, 3-isothiocyanato,3-isothiocyanato-pyridine,pyridine-3-isothiocyanate,pyridine,3-isothiocyanato,3-pyridylisothiocyanate,3-pyridyl isotiocyanate,acmc-20an1z,3-pyridyl-isothiocyanate,pyridin-3-isothiocyanate PubChem CID: 2737242 IUPAC Name: 3-isothiocyanatopyridine SMILES: C1=CC(=CN=C1)N=C=S
| PubChem CID | 2737242 |
|---|---|
| CAS | 17452-27-6 |
| Molecular Weight (g/mol) | 136.172 |
| MDL Number | MFCD00052351 |
| SMILES | C1=CC(=CN=C1)N=C=S |
| Synonym | 3-pyridyl isothiocyanate,pyridine, 3-isothiocyanato,3-isothiocyanato-pyridine,pyridine-3-isothiocyanate,pyridine,3-isothiocyanato,3-pyridylisothiocyanate,3-pyridyl isotiocyanate,acmc-20an1z,3-pyridyl-isothiocyanate,pyridin-3-isothiocyanate |
| IUPAC Name | 3-isothiocyanatopyridine |
| InChI Key | VMSZFBSYWXMXRF-UHFFFAOYSA-N |
| Molecular Formula | C6H4N2S |