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Organosulfur Compounds

Organic compounds that contain one or more sulfur atoms, or sulfur-containing functional groups.
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1

Allyl mercaptan, tech., 70%, remainder mainly sulfide, Thermo Scientific Chemicals

CAS: 870-23-5 Molecular Formula: C3H6S Molecular Weight (g/mol): 74.14 MDL Number: MFCD00004894 InChI Key: ULIKDJVNUXNQHS-UHFFFAOYSA-N Synonym: allyl mercaptan,2-propene-1-thiol,allylthiol,allylmercaptan,allyl sulfhydrate,unii-1x587iby09,2-propenyl mercaptan,2-propenyl-1-thiol,ch2=chch2sh,allyl thiol PubChem CID: 13367 IUPAC Name: prop-2-ene-1-thiol SMILES: SCC=C

PubChem CID 13367
CAS 870-23-5
Molecular Weight (g/mol) 74.14
MDL Number MFCD00004894
SMILES SCC=C
Synonym allyl mercaptan,2-propene-1-thiol,allylthiol,allylmercaptan,allyl sulfhydrate,unii-1x587iby09,2-propenyl mercaptan,2-propenyl-1-thiol,ch2=chch2sh,allyl thiol
IUPAC Name prop-2-ene-1-thiol
InChI Key ULIKDJVNUXNQHS-UHFFFAOYSA-N
Molecular Formula C3H6S
2

Allyl ethyl sulfide, 97%

CAS: 5296-62-8 Molecular Formula: C5H10S Molecular Weight (g/mol): 102.20 MDL Number: MFCD00026979 InChI Key: NOJXPGXFDASWEI-UHFFFAOYSA-N Synonym: allyl ethyl sulfide,4-thia-1-hexene,1-propene-1-one, 3-ethylthio,allylethylsulfide,allyl ethylsulfide,allylethyl sulfide,allyl ethyl sulphide,3-ethylthio-1-propene,acmc-1ao1o PubChem CID: 123229 IUPAC Name: 3-ethylsulfanylprop-1-ene SMILES: CCSCC=C

PubChem CID 123229
CAS 5296-62-8
Molecular Weight (g/mol) 102.20
MDL Number MFCD00026979
SMILES CCSCC=C
Synonym allyl ethyl sulfide,4-thia-1-hexene,1-propene-1-one, 3-ethylthio,allylethylsulfide,allyl ethylsulfide,allylethyl sulfide,allyl ethyl sulphide,3-ethylthio-1-propene,acmc-1ao1o
IUPAC Name 3-ethylsulfanylprop-1-ene
InChI Key NOJXPGXFDASWEI-UHFFFAOYSA-N
Molecular Formula C5H10S
3

Allyl methyl sulfide, 98%

CAS: 10152-76-8 Molecular Formula: C4H8S Molecular Weight (g/mol): 88.17 MDL Number: MFCD00008657 InChI Key: NVLPQIPTCCLBEU-UHFFFAOYSA-N Synonym: allyl methyl sulfide,1-propene, 3-methylthio,allyl methyl sulphide,3-methylthio-1-propene,sulfide, allyl methyl,methyl propenyl sulfide,unii-v7qi1r316c,methyl allyl sulfide,ccris 7066 PubChem CID: 66282 IUPAC Name: 3-methylsulfanylprop-1-ene SMILES: CSCC=C

PubChem CID 66282
CAS 10152-76-8
Molecular Weight (g/mol) 88.17
MDL Number MFCD00008657
SMILES CSCC=C
Synonym allyl methyl sulfide,1-propene, 3-methylthio,allyl methyl sulphide,3-methylthio-1-propene,sulfide, allyl methyl,methyl propenyl sulfide,unii-v7qi1r316c,methyl allyl sulfide,ccris 7066
IUPAC Name 3-methylsulfanylprop-1-ene
InChI Key NVLPQIPTCCLBEU-UHFFFAOYSA-N
Molecular Formula C4H8S
4

Allyl phenyl sulfide, 97%, Thermo Scientific Chemicals

CAS: 5296-64-0 Molecular Formula: C9H10S Molecular Weight (g/mol): 150.24 MDL Number: MFCD00014957 InChI Key: QGNRLAFFKKBSIM-UHFFFAOYSA-N Synonym: allyl phenyl sulfide,allylthio benzene,allyl phenyl sulfane,benzene, 2-propenylthio,allylphenyl sulfide,phenyl allyl sulfide,allylphenylthioether,allyl phenyl ;sulfane,sulfide, allyl phenyl PubChem CID: 79180 IUPAC Name: prop-2-enylsulfanylbenzene SMILES: C=CCSC1=CC=CC=C1

PubChem CID 79180
CAS 5296-64-0
Molecular Weight (g/mol) 150.24
MDL Number MFCD00014957
SMILES C=CCSC1=CC=CC=C1
Synonym allyl phenyl sulfide,allylthio benzene,allyl phenyl sulfane,benzene, 2-propenylthio,allylphenyl sulfide,phenyl allyl sulfide,allylphenylthioether,allyl phenyl ;sulfane,sulfide, allyl phenyl
IUPAC Name prop-2-enylsulfanylbenzene
InChI Key QGNRLAFFKKBSIM-UHFFFAOYSA-N
Molecular Formula C9H10S
5

Methyl disulfide, 99%

CAS: 624-92-0 Molecular Formula: C2H6S2 Molecular Weight (g/mol): 94.19 MDL Number: MFCD00008561 InChI Key: WQOXQRCZOLPYPM-UHFFFAOYSA-N Synonym: dimethyl disulfide,methyl disulfide,dimethyldisulfide,disulfide, dimethyl,dmds,2,3-dithiabutane,dimethyl disulphide,methyldisulfanyl methane,methyldisulfide,methyldithiomethane PubChem CID: 12232 ChEBI: CHEBI:4608 IUPAC Name: (methyldisulfanyl)methane SMILES: CSSC

PubChem CID 12232
CAS 624-92-0
Molecular Weight (g/mol) 94.19
ChEBI CHEBI:4608
MDL Number MFCD00008561
SMILES CSSC
Synonym dimethyl disulfide,methyl disulfide,dimethyldisulfide,disulfide, dimethyl,dmds,2,3-dithiabutane,dimethyl disulphide,methyldisulfanyl methane,methyldisulfide,methyldithiomethane
IUPAC Name (methyldisulfanyl)methane
InChI Key WQOXQRCZOLPYPM-UHFFFAOYSA-N
Molecular Formula C2H6S2
6

S-Methyl methanethiolsulfonate, 97%

CAS: 2949-92-0 Molecular Formula: C2H6O2S2 Molecular Weight (g/mol): 126.19 MDL Number: MFCD00007565 InChI Key: XYONNSVDNIRXKZ-UHFFFAOYSA-N Synonym: s-methyl methanethiosulfonate,methyl methanethiolsulfonate,methyl methanethiosulfonate,s-methyl methanesulfonothioate,methanesulfonothioic acid, s-methyl ester,methyl methanesulfonothioate,s-methyl methanethiolsulfonate,methanethiosulfonic acid s-methyl ester,s-methyl methanethiosulphonate,methanesulfonylsulfanyl methane PubChem CID: 18064 ChEBI: CHEBI:74357 IUPAC Name: methylsulfonylsulfanylmethane SMILES: CSS(=O)(=O)C

PubChem CID 18064
CAS 2949-92-0
Molecular Weight (g/mol) 126.19
ChEBI CHEBI:74357
MDL Number MFCD00007565
SMILES CSS(=O)(=O)C
Synonym s-methyl methanethiosulfonate,methyl methanethiolsulfonate,methyl methanethiosulfonate,s-methyl methanesulfonothioate,methanesulfonothioic acid, s-methyl ester,methyl methanesulfonothioate,s-methyl methanethiolsulfonate,methanethiosulfonic acid s-methyl ester,s-methyl methanethiosulphonate,methanesulfonylsulfanyl methane
IUPAC Name methylsulfonylsulfanylmethane
InChI Key XYONNSVDNIRXKZ-UHFFFAOYSA-N
Molecular Formula C2H6O2S2
7

Di-n-octadecyl disulfide, 98%

CAS: 2500-88-1 Molecular Formula: C36H74S2 Molecular Weight (g/mol): 571.11 MDL Number: MFCD00026687 InChI Key: MQQKTNDBASEZSD-UHFFFAOYSA-N Synonym: disulfide, dioctadecyl,dioctadecyl disulfide,octadecyl disulfide,di-n-octadecyl disulfide,distearyl disulfide,1-octadecyldisulfanyl octadecane,dioctadecyl disulphide,di-n-octadecyldisulfide,dioctadecyldisulfid,n-octadecyl disulfide PubChem CID: 75627 IUPAC Name: 1-(octadecyldisulfanyl)octadecane SMILES: CCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCCCC

PubChem CID 75627
CAS 2500-88-1
Molecular Weight (g/mol) 571.11
MDL Number MFCD00026687
SMILES CCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCCCC
Synonym disulfide, dioctadecyl,dioctadecyl disulfide,octadecyl disulfide,di-n-octadecyl disulfide,distearyl disulfide,1-octadecyldisulfanyl octadecane,dioctadecyl disulphide,di-n-octadecyldisulfide,dioctadecyldisulfid,n-octadecyl disulfide
IUPAC Name 1-(octadecyldisulfanyl)octadecane
InChI Key MQQKTNDBASEZSD-UHFFFAOYSA-N
Molecular Formula C36H74S2
8

S-Boc-2-mercapto-4,6-dimethylpyrimidine, 97%

CAS: 41840-28-2 Molecular Formula: C11H16N2O2S Molecular Weight (g/mol): 240.32 MDL Number: MFCD00006080 InChI Key: POTDIELOEHTPJN-UHFFFAOYSA-N Synonym: s-boc-2-mercapto-4,6-dimethylpyrimidine,ccris 2600,2-tert-butoxycarbonylthio-4,6-dimethylpyrimidine,2-boc-thio-4,6-dimethylpyrimidine,tert-butyl s-4,6-dimethylpyrimidin-2-yl thiocarbonate,tert-butyl s-4,6-dimethylpyrimidin-2-yl thiolcarbonate,o-tert-butyl s-4,6-dimethylpyrimidin-2-yl carbonothioate,carbonothioic acid, o-1,1-dimethylethyl s-4,6-dimethyl-2-pyrimidinyl ester,tert-butyl 4,6-dimethylpyrimidin-2-yl sulfanylformate,thiocarbonic acid, o-tert-butyl s-4,6-dimethyl-2-pyrimidinyl ester PubChem CID: 148428 IUPAC Name: tert-butyl (4,6-dimethylpyrimidin-2-yl)sulfanylformate SMILES: CC1=CC(C)=NC(SC(=O)OC(C)(C)C)=N1

PubChem CID 148428
CAS 41840-28-2
Molecular Weight (g/mol) 240.32
MDL Number MFCD00006080
SMILES CC1=CC(C)=NC(SC(=O)OC(C)(C)C)=N1
Synonym s-boc-2-mercapto-4,6-dimethylpyrimidine,ccris 2600,2-tert-butoxycarbonylthio-4,6-dimethylpyrimidine,2-boc-thio-4,6-dimethylpyrimidine,tert-butyl s-4,6-dimethylpyrimidin-2-yl thiocarbonate,tert-butyl s-4,6-dimethylpyrimidin-2-yl thiolcarbonate,o-tert-butyl s-4,6-dimethylpyrimidin-2-yl carbonothioate,carbonothioic acid, o-1,1-dimethylethyl s-4,6-dimethyl-2-pyrimidinyl ester,tert-butyl 4,6-dimethylpyrimidin-2-yl sulfanylformate,thiocarbonic acid, o-tert-butyl s-4,6-dimethyl-2-pyrimidinyl ester
IUPAC Name tert-butyl (4,6-dimethylpyrimidin-2-yl)sulfanylformate
InChI Key POTDIELOEHTPJN-UHFFFAOYSA-N
Molecular Formula C11H16N2O2S
9

N,N'-Bis(acryloyl)cystamine, 98%

CAS: 60984-57-8 Molecular Formula: C10H16N2O2S2 Molecular Weight (g/mol): 260.37 MDL Number: MFCD00036225 InChI Key: DJVKJGIZQFBFGS-UHFFFAOYSA-N Synonym: n,n'-bis acryloyl cystamine,n,n'-bisacrylylcystamine,2-propenamide, n,n'-dithiodi-2,1-ethanediyl bis,2,2'-bisacrylamino diethyldisulfide,bis-acrylylcystamine: bac,n,n'-dithiodi-2,1-ethanediyl bis acrylamide,n-2-2-prop-2-enamido ethyl disulfanyl ethyl prop-2-enamide,n-2-2-prop-2-enoylamino ethyldisulfanyl ethyl prop-2-enamide,acmc-20ak9p,n,n-bis-acrylylcystamine PubChem CID: 100602 IUPAC Name: N-[2-[2-(prop-2-enoylamino)ethyldisulfanyl]ethyl]prop-2-enamide SMILES: C=CC(=O)NCCSSCCNC(=O)C=C

PubChem CID 100602
CAS 60984-57-8
Molecular Weight (g/mol) 260.37
MDL Number MFCD00036225
SMILES C=CC(=O)NCCSSCCNC(=O)C=C
Synonym n,n'-bis acryloyl cystamine,n,n'-bisacrylylcystamine,2-propenamide, n,n'-dithiodi-2,1-ethanediyl bis,2,2'-bisacrylamino diethyldisulfide,bis-acrylylcystamine: bac,n,n'-dithiodi-2,1-ethanediyl bis acrylamide,n-2-2-prop-2-enamido ethyl disulfanyl ethyl prop-2-enamide,n-2-2-prop-2-enoylamino ethyldisulfanyl ethyl prop-2-enamide,acmc-20ak9p,n,n-bis-acrylylcystamine
IUPAC Name N-[2-[2-(prop-2-enoylamino)ethyldisulfanyl]ethyl]prop-2-enamide
InChI Key DJVKJGIZQFBFGS-UHFFFAOYSA-N
Molecular Formula C10H16N2O2S2
10

3,3'-Dithiodipropionic acid, 98%

CAS: 1119-62-6 Molecular Formula: C6H10O4S2 Molecular Weight (g/mol): 210.26 MDL Number: MFCD00002780 InChI Key: YCLSOMLVSHPPFV-UHFFFAOYSA-N Synonym: 3,3'-dithiodipropionic acid,dithiodipropionic acid,propanoic acid, 3,3'-dithiobis,3,3-dithiodipropionic acid,3,3'-dithiobis dipropionic acid,unii-42op5b2ni6,3,3'-dithiobispropionic acid,propionic acid, 3,3'-dithiodi,3,3'-disulfanediyldipropanoic acid,3-2-carboxyethyl disulfanyl propanoic acid PubChem CID: 95116 IUPAC Name: 3-(2-carboxyethyldisulfanyl)propanoic acid SMILES: C(CSSCCC(=O)O)C(=O)O

PubChem CID 95116
CAS 1119-62-6
Molecular Weight (g/mol) 210.26
MDL Number MFCD00002780
SMILES C(CSSCCC(=O)O)C(=O)O
Synonym 3,3'-dithiodipropionic acid,dithiodipropionic acid,propanoic acid, 3,3'-dithiobis,3,3-dithiodipropionic acid,3,3'-dithiobis dipropionic acid,unii-42op5b2ni6,3,3'-dithiobispropionic acid,propionic acid, 3,3'-dithiodi,3,3'-disulfanediyldipropanoic acid,3-2-carboxyethyl disulfanyl propanoic acid
IUPAC Name 3-(2-carboxyethyldisulfanyl)propanoic acid
InChI Key YCLSOMLVSHPPFV-UHFFFAOYSA-N
Molecular Formula C6H10O4S2
11

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

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
12

Bis(2-hydroxyethyl) disulfide, tech. 90%

CAS: 1892-29-1 Molecular Formula: C4H10O2S2 Molecular Weight (g/mol): 154.24 MDL Number: MFCD00002906 InChI Key: KYNFOMQIXZUKRK-UHFFFAOYSA-N Synonym: 2-hydroxyethyl disulfide,2,2'-dithiodiethanol,bis 2-hydroxyethyl disulfide,ethanol, 2,2'-dithiobis,hydroxyethyl disulfide,diethanol disulfide,2,2'-dithiobisethanol,2-hydroxyethanedisulfide,usaf th-9,2,2'-disulfanediyldiethanol PubChem CID: 15906 ChEBI: CHEBI:43136 IUPAC Name: 2-(2-hydroxyethyldisulfanyl)ethanol SMILES: OCCSSCCO

PubChem CID 15906
CAS 1892-29-1
Molecular Weight (g/mol) 154.24
ChEBI CHEBI:43136
MDL Number MFCD00002906
SMILES OCCSSCCO
Synonym 2-hydroxyethyl disulfide,2,2'-dithiodiethanol,bis 2-hydroxyethyl disulfide,ethanol, 2,2'-dithiobis,hydroxyethyl disulfide,diethanol disulfide,2,2'-dithiobisethanol,2-hydroxyethanedisulfide,usaf th-9,2,2'-disulfanediyldiethanol
IUPAC Name 2-(2-hydroxyethyldisulfanyl)ethanol
InChI Key KYNFOMQIXZUKRK-UHFFFAOYSA-N
Molecular Formula C4H10O2S2
13

n-Butyl disulfide, 97%

CAS: 629-45-8 Molecular Formula: C8H18S2 Molecular Weight (g/mol): 178.35 MDL Number: MFCD00009467 InChI Key: CUDSBWGCGSUXDB-UHFFFAOYSA-N Synonym: dibutyl disulfide,butyl disulfide,disulfide, dibutyl,n-butyl disulfide,di-n-butyl disulfide,dibutyl disulphide,5,6-dithiadecane,1-butyldisulfanyl butane,unii-z77ef35c0q,1-butyldisulfanyl-butane PubChem CID: 12386 IUPAC Name: 1-(butyldisulfanyl)butane SMILES: CCCCSSCCCC

PubChem CID 12386
CAS 629-45-8
Molecular Weight (g/mol) 178.35
MDL Number MFCD00009467
SMILES CCCCSSCCCC
Synonym dibutyl disulfide,butyl disulfide,disulfide, dibutyl,n-butyl disulfide,di-n-butyl disulfide,dibutyl disulphide,5,6-dithiadecane,1-butyldisulfanyl butane,unii-z77ef35c0q,1-butyldisulfanyl-butane
IUPAC Name 1-(butyldisulfanyl)butane
InChI Key CUDSBWGCGSUXDB-UHFFFAOYSA-N
Molecular Formula C8H18S2
14

Isopropyl disulfide, 96%

CAS: 4253-89-8 Molecular Formula: C6H14S2 Molecular Weight (g/mol): 150.3 MDL Number: MFCD00008894 InChI Key: LZAZXBXPKRULLB-UHFFFAOYSA-N Synonym: diisopropyl disulfide,isopropyl disulfide,diisopropyl disulphide,disulfide, bis 1-methylethyl,2,2'-dithiodipropane,1,2-diisopropyldisulfane,2,5-dimethyl-3,4-dithiahexane,isopropyldisulfide,unii-bp550p623a,isopropyl disulfide 8ci PubChem CID: 77932 IUPAC Name: 2-(propan-2-yldisulfanyl)propane SMILES: CC(C)SSC(C)C

PubChem CID 77932
CAS 4253-89-8
Molecular Weight (g/mol) 150.3
MDL Number MFCD00008894
SMILES CC(C)SSC(C)C
Synonym diisopropyl disulfide,isopropyl disulfide,diisopropyl disulphide,disulfide, bis 1-methylethyl,2,2'-dithiodipropane,1,2-diisopropyldisulfane,2,5-dimethyl-3,4-dithiahexane,isopropyldisulfide,unii-bp550p623a,isopropyl disulfide 8ci
IUPAC Name 2-(propan-2-yldisulfanyl)propane
InChI Key LZAZXBXPKRULLB-UHFFFAOYSA-N
Molecular Formula C6H14S2
15

tert-Butyl disulfide, 98%

CAS: 110-06-5 Molecular Formula: C8H18S2 Molecular Weight (g/mol): 178.35 MDL Number: MFCD00008838 InChI Key: BKCNDTDWDGQHSD-UHFFFAOYSA-N Synonym: di-tert-butyl disulfide,disulfide, bis 1,1-dimethylethyl,1,2-di-tert-butyldisulfane,di-tert-butyl disulphide,tert-butyl disulfide,t-butyl disulfide,2-tert-butyldisulfanyl-2-methylpropane,di-t-butyl disulfide,t-butyldisulfide,2,2'-dithiobis 2-methylpropane PubChem CID: 66060 IUPAC Name: 2-(tert-butyldisulfanyl)-2-methylpropane SMILES: CC(C)(C)SSC(C)(C)C

PubChem CID 66060
CAS 110-06-5
Molecular Weight (g/mol) 178.35
MDL Number MFCD00008838
SMILES CC(C)(C)SSC(C)(C)C
Synonym di-tert-butyl disulfide,disulfide, bis 1,1-dimethylethyl,1,2-di-tert-butyldisulfane,di-tert-butyl disulphide,tert-butyl disulfide,t-butyl disulfide,2-tert-butyldisulfanyl-2-methylpropane,di-t-butyl disulfide,t-butyldisulfide,2,2'-dithiobis 2-methylpropane
IUPAC Name 2-(tert-butyldisulfanyl)-2-methylpropane
InChI Key BKCNDTDWDGQHSD-UHFFFAOYSA-N
Molecular Formula C8H18S2