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Carbothioic Derivatives

Organosulfur compounds that are derived from carbothioic acid; carbothioic acid is a carboxylic acid with one of the oxygen atoms replaced by a sulfur atom. Two tautomers are possible: a thione form (RC(S)OH), and a thiol form (RC(O)SH).
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1

S-Methyl 2-Furancarbothioate 98.0+%, TCI America™

CAS: 13679-61-3 Molecular Formula: C6H6O2S Molecular Weight (g/mol): 142.172 MDL Number: MFCD00040266 InChI Key: ISKUAGFDTRLBHG-UHFFFAOYSA-N Synonym: 2-Furancarbothioic Acid S-Methyl Ester, S-Methyl 2-Thiofuroate, 2-Thiofuroic Acid S-Methyl Ester PubChem CID: 61662 IUPAC Name: S-methyl furan-2-carbothioate SMILES: CSC(=O)C1=CC=CO1

PubChem CID 61662
CAS 13679-61-3
Molecular Weight (g/mol) 142.172
MDL Number MFCD00040266
SMILES CSC(=O)C1=CC=CO1
Synonym 2-Furancarbothioic Acid S-Methyl Ester, S-Methyl 2-Thiofuroate, 2-Thiofuroic Acid S-Methyl Ester
IUPAC Name S-methyl furan-2-carbothioate
InChI Key ISKUAGFDTRLBHG-UHFFFAOYSA-N
Molecular Formula C6H6O2S
2

S-Propyl Thioacetate 98.0+%, TCI America™

CAS: 2307-10-0 Molecular Formula: C5H10OS Molecular Weight (g/mol): 118.19 MDL Number: MFCD00039937 InChI Key: SBWFWBJCYMBZEY-UHFFFAOYSA-N Synonym: s-propyl thioacetate,propyl thioacetate,ethanethioic acid, s-propyl ester,propyl thiolacetate,s-n-propyl thioacetate,acetic acid, thio-, s-propyl ester,unii-y7284nz6ep,1-propylsulfanyl ethanone,n-propyl thio acetate,fema no. 3385 PubChem CID: 61295 IUPAC Name: 1-(propylsulfanyl)ethan-1-one SMILES: CCCSC(C)=O

PubChem CID 61295
CAS 2307-10-0
Molecular Weight (g/mol) 118.19
MDL Number MFCD00039937
SMILES CCCSC(C)=O
Synonym s-propyl thioacetate,propyl thioacetate,ethanethioic acid, s-propyl ester,propyl thiolacetate,s-n-propyl thioacetate,acetic acid, thio-, s-propyl ester,unii-y7284nz6ep,1-propylsulfanyl ethanone,n-propyl thio acetate,fema no. 3385
IUPAC Name 1-(propylsulfanyl)ethan-1-one
InChI Key SBWFWBJCYMBZEY-UHFFFAOYSA-N
Molecular Formula C5H10OS
3

S-Ethyl Trifluorothioacetate 98.0+%, TCI America™

CAS: 383-64-2 Molecular Formula: C4H5F3OS Molecular Weight (g/mol): 158.138 MDL Number: MFCD00000421 InChI Key: VGGUKFAVHPGNBF-UHFFFAOYSA-N Synonym: s-ethyl trifluorothioacetate,ethanethioic acid, trifluoro-, s-ethyl ester,ethyl trifluorothiolacetate,s-ethyl trifluoroethanethioate,trifluoroacetonylmercaptoethanol,acetic acid, trifluorothio-, s-ethyl ester,s-ethylthiotrifluoroacetate,trifluorothioacetic acid s-ethyl ester,ethanethioic acid, 2,2,2-trifluoro-, s-ethyl ester,1-ethylsulfanyl-2,2,2-trifluoroethanone PubChem CID: 67844 IUPAC Name: S-ethyl 2,2,2-trifluoroethanethioate SMILES: CCSC(=O)C(F)(F)F

PubChem CID 67844
CAS 383-64-2
Molecular Weight (g/mol) 158.138
MDL Number MFCD00000421
SMILES CCSC(=O)C(F)(F)F
Synonym s-ethyl trifluorothioacetate,ethanethioic acid, trifluoro-, s-ethyl ester,ethyl trifluorothiolacetate,s-ethyl trifluoroethanethioate,trifluoroacetonylmercaptoethanol,acetic acid, trifluorothio-, s-ethyl ester,s-ethylthiotrifluoroacetate,trifluorothioacetic acid s-ethyl ester,ethanethioic acid, 2,2,2-trifluoro-, s-ethyl ester,1-ethylsulfanyl-2,2,2-trifluoroethanone
IUPAC Name S-ethyl 2,2,2-trifluoroethanethioate
InChI Key VGGUKFAVHPGNBF-UHFFFAOYSA-N
Molecular Formula C4H5F3OS
4

S-(2-Methyl-3-furyl) Thioacetate 96.0+%, TCI America™

CAS: 55764-25-5 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.20 MDL Number: MFCD01632595 InChI Key: PQFIBPDAGFGLBY-UHFFFAOYSA-N Synonym: 2-methylfuran-3-thiol acetate,3-acetylthio-2-methylfuran,ethanethioic acid, s-2-methyl-3-furanyl ester,s-2-methyl-3-furyl thioacetate,s-2-methyl-3-furyl ethanethioate,2-methyl-3-furanthiol, acetate,unii-7277jee7af,s-2-methylfuran-3-yl ethanethioate,thioacetic acid s-2-methyl-3-furyl ester,1-2-methylfuran-3-yl sulfanyl ethanone PubChem CID: 108765 IUPAC Name: 1-[(2-methylfuran-3-yl)sulfanyl]ethan-1-one SMILES: CC(=O)SC1=C(C)OC=C1

PubChem CID 108765
CAS 55764-25-5
Molecular Weight (g/mol) 156.20
MDL Number MFCD01632595
SMILES CC(=O)SC1=C(C)OC=C1
Synonym 2-methylfuran-3-thiol acetate,3-acetylthio-2-methylfuran,ethanethioic acid, s-2-methyl-3-furanyl ester,s-2-methyl-3-furyl thioacetate,s-2-methyl-3-furyl ethanethioate,2-methyl-3-furanthiol, acetate,unii-7277jee7af,s-2-methylfuran-3-yl ethanethioate,thioacetic acid s-2-methyl-3-furyl ester,1-2-methylfuran-3-yl sulfanyl ethanone
IUPAC Name 1-[(2-methylfuran-3-yl)sulfanyl]ethan-1-one
InChI Key PQFIBPDAGFGLBY-UHFFFAOYSA-N
Molecular Formula C7H8O2S
5

S-Ethyl Thiopropionate 98.0+%, TCI America™

CAS: 2432-42-0 Molecular Formula: C5H10OS Molecular Weight (g/mol): 118.194 MDL Number: MFCD00027016 InChI Key: HNEVHBHRLCAKKQ-UHFFFAOYSA-N Synonym: s-ethyl thiopropionate,ethyl thiopropionate,propanethioic acid, s-ethyl ester,thiopropionic acid s-ethyl ester,1-ethylsulfanyl propan-1-one,ethanethiol propionate,acmc-1ceeh,propanethioicacid,s-ethylester,thiopropionic acid, s-ethyl ester,propanethioic acid,s-ethyl ester PubChem CID: 75513 IUPAC Name: S-ethyl propanethioate SMILES: CCC(=O)SCC

PubChem CID 75513
CAS 2432-42-0
Molecular Weight (g/mol) 118.194
MDL Number MFCD00027016
SMILES CCC(=O)SCC
Synonym s-ethyl thiopropionate,ethyl thiopropionate,propanethioic acid, s-ethyl ester,thiopropionic acid s-ethyl ester,1-ethylsulfanyl propan-1-one,ethanethiol propionate,acmc-1ceeh,propanethioicacid,s-ethylester,thiopropionic acid, s-ethyl ester,propanethioic acid,s-ethyl ester
IUPAC Name S-ethyl propanethioate
InChI Key HNEVHBHRLCAKKQ-UHFFFAOYSA-N
Molecular Formula C5H10OS
6

S-Methyl Thioacetate 95.0+%, TCI America™

CAS: 1534-08-3 Molecular Formula: C3H6OS Molecular Weight (g/mol): 90.14 MDL Number: MFCD00014989 InChI Key: OATSQCXMYKYFQO-UHFFFAOYSA-N Synonym: s-methyl thioacetate,methylthioacetate,ethanethioic acid, s-methyl ester,methanethiol acetate,thioacetic acid s-methyl ester,methyl thiolacetate,methyl ethanethioate,unii-pf2d4mwx79,ch3c o sch3,acetic acid, thio-, s-methyl ester PubChem CID: 73750 ChEBI: CHEBI:51280 IUPAC Name: S-methyl ethanethioate SMILES: CC(=O)SC

PubChem CID 73750
CAS 1534-08-3
Molecular Weight (g/mol) 90.14
ChEBI CHEBI:51280
MDL Number MFCD00014989
SMILES CC(=O)SC
Synonym s-methyl thioacetate,methylthioacetate,ethanethioic acid, s-methyl ester,methanethiol acetate,thioacetic acid s-methyl ester,methyl thiolacetate,methyl ethanethioate,unii-pf2d4mwx79,ch3c o sch3,acetic acid, thio-, s-methyl ester
IUPAC Name S-methyl ethanethioate
InChI Key OATSQCXMYKYFQO-UHFFFAOYSA-N
Molecular Formula C3H6OS
7

S-Ethyl Thioacetate 98.0+%, TCI America™

CAS: 625-60-5 Molecular Formula: C4H8OS Molecular Weight (g/mol): 104.167 MDL Number: MFCD00015178 InChI Key: APTGPWJUOYMUCE-UHFFFAOYSA-N Synonym: s-ethyl thioacetate,ethanethioic acid, ethyl ester,ethanethioic acid, s-ethyl ester,ethyl thiolacetate,ethyl ethanethioate,ethanethioic acid s-ethyl ester,s-ethyl thiolacetate,acetic acid, thio-, ethyl ester,thioethyl compound,acetic acid, thio-, s-ethyl ester PubChem CID: 61171 IUPAC Name: S-ethyl ethanethioate SMILES: CCSC(=O)C

PubChem CID 61171
CAS 625-60-5
Molecular Weight (g/mol) 104.167
MDL Number MFCD00015178
SMILES CCSC(=O)C
Synonym s-ethyl thioacetate,ethanethioic acid, ethyl ester,ethanethioic acid, s-ethyl ester,ethyl thiolacetate,ethyl ethanethioate,ethanethioic acid s-ethyl ester,s-ethyl thiolacetate,acetic acid, thio-, ethyl ester,thioethyl compound,acetic acid, thio-, s-ethyl ester
IUPAC Name S-ethyl ethanethioate
InChI Key APTGPWJUOYMUCE-UHFFFAOYSA-N
Molecular Formula C4H8OS
8

Thioacetic Acid 95.0+%, TCI America™

CAS: 507-09-5 Molecular Formula: C2H4OS Molecular Weight (g/mol): 76.11 MDL Number: MFCD00004853 InChI Key: DUYAAUVXQSMXQP-UHFFFAOYSA-N Synonym: thioacetic acid,ethanethioic acid,thiacetic acid,thioacetic s-acid,acetyl mercaptan,ethanethiolic acid,thiolacetic acid,thionoacetic acid,methanecarbothiolic acid,ch3cosh PubChem CID: 10484 ChEBI: CHEBI:16555 IUPAC Name: ethanethioic S-acid SMILES: CC(S)=O

PubChem CID 10484
CAS 507-09-5
Molecular Weight (g/mol) 76.11
ChEBI CHEBI:16555
MDL Number MFCD00004853
SMILES CC(S)=O
Synonym thioacetic acid,ethanethioic acid,thiacetic acid,thioacetic s-acid,acetyl mercaptan,ethanethiolic acid,thiolacetic acid,thionoacetic acid,methanecarbothiolic acid,ch3cosh
IUPAC Name ethanethioic S-acid
InChI Key DUYAAUVXQSMXQP-UHFFFAOYSA-N
Molecular Formula C2H4OS