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Organosulfur Compounds

Organic compounds that contain one or more sulfur atoms, or sulfur-containing functional groups.
Isothiocyanates (8)
Thioethers (5)
Sulfenyl compounds (4)
Sulfoxides (2)
Thiocarbonyl compounds (2)

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1
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2-(Methyldithio)isobutyraldehyde, 95%

CAS: 67952-60-7 Molecular Formula: C5H10OS2 Molecular Weight (g/mol): 150.25 InChI Key: VLBWEJJOETYCSE-UHFFFAOYSA-N Synonym: 2-methyldithio isobutyraldehyde,2-methyl-2-methyldithio propanal,unii-3d5g4az6l5,propanal, 2-methyl-2-methyldithio,2-methyldithio-isobutyraldehyde,alpha-methyldithio isobutyraldehyde,2-methyl-2-methyldisulfanyl propanal,2-methyl-2-methyldithio propionaldehyde,2-methyldisulfanyl isobutyraldehyde,cocoa propanal PubChem CID: 106217 IUPAC Name: 2-methyl-2-(methyldisulfanyl)propanal SMILES: CC(C)(C=O)SSC

EDGE
PubChem CID 106217
CAS 67952-60-7
Molecular Weight (g/mol) 150.25
SMILES CC(C)(C=O)SSC
Synonym 2-methyldithio isobutyraldehyde,2-methyl-2-methyldithio propanal,unii-3d5g4az6l5,propanal, 2-methyl-2-methyldithio,2-methyldithio-isobutyraldehyde,alpha-methyldithio isobutyraldehyde,2-methyl-2-methyldisulfanyl propanal,2-methyl-2-methyldithio propionaldehyde,2-methyldisulfanyl isobutyraldehyde,cocoa propanal
IUPAC Name 2-methyl-2-(methyldisulfanyl)propanal
InChI Key VLBWEJJOETYCSE-UHFFFAOYSA-N
Molecular Formula C5H10OS2
2

2-Aminophenyl Phenyl Sulfide 98.0+%, TCI America™

CAS: 1134-94-7 Molecular Formula: C12H11NS Molecular Weight (g/mol): 201.287 InChI Key: DGBISJKLNVVJGD-UHFFFAOYSA-N Synonym: 2-Aminodiphenyl Sulfide, 2-(Phenylthio)aniline PubChem CID: 365393 IUPAC Name: 2-phenylsulfanylaniline SMILES: C1=CC=C(C=C1)SC2=CC=CC=C2N

PubChem CID 365393
CAS 1134-94-7
Molecular Weight (g/mol) 201.287
SMILES C1=CC=C(C=C1)SC2=CC=CC=C2N
Synonym 2-Aminodiphenyl Sulfide, 2-(Phenylthio)aniline
IUPAC Name 2-phenylsulfanylaniline
InChI Key DGBISJKLNVVJGD-UHFFFAOYSA-N
Molecular Formula C12H11NS
3
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Allyl isothiocyanate, 94%, stabilized with 0.01% alpha-tocopherol

CAS: 57-06-7 MDL Number: MFCD00004822 InChI Key: ZOJBYZNEUISWFT-UHFFFAOYSA-N Synonym: allyl isothiocyanate,mustard oil,redskin,allylsenevol,allylsenfoel,allyl mustard oil,oleum sinapis,oil of mustard,allylsevenolum,senfoel PubChem CID: 5971 ChEBI: CHEBI:73224 IUPAC Name: 3-isothiocyanatoprop-1-ene SMILES: C=CCN=C=S

PubChem CID 5971
CAS 57-06-7
ChEBI CHEBI:73224
MDL Number MFCD00004822
SMILES C=CCN=C=S
Synonym allyl isothiocyanate,mustard oil,redskin,allylsenevol,allylsenfoel,allyl mustard oil,oleum sinapis,oil of mustard,allylsevenolum,senfoel
IUPAC Name 3-isothiocyanatoprop-1-ene
InChI Key ZOJBYZNEUISWFT-UHFFFAOYSA-N
4
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Methyl phenyl sulfoxide, 98+%

CAS: 1193-82-4 Molecular Formula: C7H8OS Molecular Weight (g/mol): 140.21 MDL Number: MFCD00002088 InChI Key: JXTGICXCHWMCPM-UHFFFAOYSA-N Synonym: methyl phenyl sulfoxide,methylsulfinyl benzene,thioanisole s-oxide,phenyl methyl sulfoxide,sulfoxide, methyl phenyl,benzene, methylsulfinyl,methanesulfinylbenzene,methylphenylsulfoxide,methylsulphinyl benzene PubChem CID: 14516 IUPAC Name: methylsulfinylbenzene SMILES: CS(=O)C1=CC=CC=C1

PubChem CID 14516
CAS 1193-82-4
Molecular Weight (g/mol) 140.21
MDL Number MFCD00002088
SMILES CS(=O)C1=CC=CC=C1
Synonym methyl phenyl sulfoxide,methylsulfinyl benzene,thioanisole s-oxide,phenyl methyl sulfoxide,sulfoxide, methyl phenyl,benzene, methylsulfinyl,methanesulfinylbenzene,methylphenylsulfoxide,methylsulphinyl benzene
IUPAC Name methylsulfinylbenzene
InChI Key JXTGICXCHWMCPM-UHFFFAOYSA-N
Molecular Formula C7H8OS
5
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Allyl isothiocyanate, 94%, stab.

CAS: 57-06-7 Molecular Formula: C4H5NS Molecular Weight (g/mol): 99.151 MDL Number: MFCD00004822 InChI Key: ZOJBYZNEUISWFT-UHFFFAOYSA-N Synonym: allyl isothiocyanate,mustard oil,redskin,allylsenevol,allylsenfoel,allyl mustard oil,oleum sinapis,oil of mustard,allylsevenolum,senfoel PubChem CID: 5971 ChEBI: CHEBI:73224 IUPAC Name: 3-isothiocyanatoprop-1-ene SMILES: C=CCN=C=S

PubChem CID 5971
CAS 57-06-7
Molecular Weight (g/mol) 99.151
ChEBI CHEBI:73224
MDL Number MFCD00004822
SMILES C=CCN=C=S
Synonym allyl isothiocyanate,mustard oil,redskin,allylsenevol,allylsenfoel,allyl mustard oil,oleum sinapis,oil of mustard,allylsevenolum,senfoel
IUPAC Name 3-isothiocyanatoprop-1-ene
InChI Key ZOJBYZNEUISWFT-UHFFFAOYSA-N
Molecular Formula C4H5NS
6

Ethyl thiooxamate, 95%, Thermo Scientific Chemicals

CAS: 16982-21-1 Molecular Formula: C4H7NO2S Molecular Weight (g/mol): 133.17 MDL Number: MFCD00074903 InChI Key: YMBMCMOZIGSBOA-UHFFFAOYSA-N Synonym: ethyl 2-amino-2-thioxoacetate,ethyl carbamothioylformate,ethyl thioxamate,ethyl thiooxamidate,ethyl amino thioxo acetate,ethyl thiooxamat,ethyl aminothioxoacetate,ethyl 2-thiooxamate,acetic acid, aminothioxo-, ethyl ester,thiooxamic acid ethyl ester PubChem CID: 2733398 IUPAC Name: ethyl 2-amino-2-sulfanylideneacetate SMILES: CCOC(=O)C(=S)N

PubChem CID 2733398
CAS 16982-21-1
Molecular Weight (g/mol) 133.17
MDL Number MFCD00074903
SMILES CCOC(=O)C(=S)N
Synonym ethyl 2-amino-2-thioxoacetate,ethyl carbamothioylformate,ethyl thioxamate,ethyl thiooxamidate,ethyl amino thioxo acetate,ethyl thiooxamat,ethyl aminothioxoacetate,ethyl 2-thiooxamate,acetic acid, aminothioxo-, ethyl ester,thiooxamic acid ethyl ester
IUPAC Name ethyl 2-amino-2-sulfanylideneacetate
InChI Key YMBMCMOZIGSBOA-UHFFFAOYSA-N
Molecular Formula C4H7NO2S
7
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1,1-Bis(methylthio)-2-nitroethylene, 99%

CAS: 13623-94-4 Molecular Formula: C4H7NO2S2 Molecular Weight (g/mol): 165.24 MDL Number: MFCD00010443 InChI Key: NXGHEDHQXXXTTP-UHFFFAOYSA-N Synonym: 1,1-bis methylthio-2-nitroethylene,1,1-bis methylsulfanyl-2-nitroethene,1,1-dimethylthio-2-nitroethylene,1-nitro-2,2-bis methylthio ethylene,ethene, 1,1-bis methylthio-2-nitro,1,1-bis methylthio-2-nitroethene,1,1-bis-methylthio-2-nitroethene,1,1-dimethylthio-2-nitroethene,1,1-bis-methylthio-2-nitroethylene PubChem CID: 83623 IUPAC Name: 1,1-bis(methylsulfanyl)-2-nitroethene SMILES: CSC(=C[N+](=O)[O-])SC

PubChem CID 83623
CAS 13623-94-4
Molecular Weight (g/mol) 165.24
MDL Number MFCD00010443
SMILES CSC(=C[N+](=O)[O-])SC
Synonym 1,1-bis methylthio-2-nitroethylene,1,1-bis methylsulfanyl-2-nitroethene,1,1-dimethylthio-2-nitroethylene,1-nitro-2,2-bis methylthio ethylene,ethene, 1,1-bis methylthio-2-nitro,1,1-bis methylthio-2-nitroethene,1,1-bis-methylthio-2-nitroethene,1,1-dimethylthio-2-nitroethene,1,1-bis-methylthio-2-nitroethylene
IUPAC Name 1,1-bis(methylsulfanyl)-2-nitroethene
InChI Key NXGHEDHQXXXTTP-UHFFFAOYSA-N
Molecular Formula C4H7NO2S2
8

eMolecules​ 25095-94-7 | Ambeed | 9-Oxo-9H-thioxanthene-2-carboxylic acid | 100mg | 600842367 | A525285 | MFCD03840789 | 256.28 | C14H8O3S

Ambeed | 25-Difluoroterephthalaldehyde | 100mg | 569095139 | A1275060 | 608145-27-3 | 170.115 | C8H4F2O2

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9

Sigma Aldrich 2-(Phenylthio)aniline

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

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CAS 1134-94-7
10

tert-Octyl Isothiocyanate 94%, Thermo Scientific™

CAS: 17701-76-7 Molecular Formula: C9H17NS Molecular Weight (g/mol): 171.302 InChI Key: KUGHMFIBHMZICO-UHFFFAOYSA-N Synonym: tert-octyl isothiocyanate,tert-octylisothiocyanate,1,1,3,3-tetramethylbutyl isothiocyanate,pentane,2-isothiocyanato-2,4,4-trimethyl,pentane, 2-isothiocyanato-2,4,4-trimethyl,t-octylisothiocyanate,2-isothiocyanato-2,4,4-trimethyl-pentane PubChem CID: 87255 IUPAC Name: 2-isothiocyanato-2,4,4-trimethylpentane SMILES: CC(C)(C)CC(C)(C)N=C=S

PubChem CID 87255
CAS 17701-76-7
Molecular Weight (g/mol) 171.302
SMILES CC(C)(C)CC(C)(C)N=C=S
Synonym tert-octyl isothiocyanate,tert-octylisothiocyanate,1,1,3,3-tetramethylbutyl isothiocyanate,pentane,2-isothiocyanato-2,4,4-trimethyl,pentane, 2-isothiocyanato-2,4,4-trimethyl,t-octylisothiocyanate,2-isothiocyanato-2,4,4-trimethyl-pentane
IUPAC Name 2-isothiocyanato-2,4,4-trimethylpentane
InChI Key KUGHMFIBHMZICO-UHFFFAOYSA-N
Molecular Formula C9H17NS