U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C5H10O2S
Molecular Weight 134.197
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 2-METHYL-3-MERCAPTOPROPIONATE

SMILES

COC(=O)C(C)CS

InChI

InChIKey=PXSVQMKXJZTWPN-UHFFFAOYSA-N
InChI=1S/C5H10O2S/c1-4(3-8)5(6)7-2/h4,8H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C5H10O2S
Molecular Weight 134.197
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:58:09 GMT 2025
Edited
by admin
on Mon Mar 31 22:58:09 GMT 2025
Record UNII
ZV4QC18D1N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 2-METHYL-3-MERCAPTOPROPIONATE
Systematic Name English
PROPANOIC ACID, 3-MERCAPTO-2-METHYL-, METHYL ESTER
Preferred Name English
PROPIONIC ACID, 3-MERCAPTO-2-METHYL-, METHYL ESTER
Systematic Name English
METHYL 3-MERCAPTO-2-METHYLPROPANOATE
Systematic Name English
METHYL-2-METHYL-3-MERCAPTOPROPIONATE
Systematic Name English
METHYL 3-MERCAPTO-2-METHYLPROPIONATE
Systematic Name English
METHYL 2-METHYL-3-MERCAPTOPROPIONATE, (±)-
Systematic Name English
METHYL .ALPHA.-METHYL-.BETA.-MERCAPTOPROPIONATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10863325
Created by admin on Mon Mar 31 22:58:09 GMT 2025 , Edited by admin on Mon Mar 31 22:58:09 GMT 2025
PRIMARY
PUBCHEM
107231
Created by admin on Mon Mar 31 22:58:09 GMT 2025 , Edited by admin on Mon Mar 31 22:58:09 GMT 2025
PRIMARY
CAS
4131-76-4
Created by admin on Mon Mar 31 22:58:09 GMT 2025 , Edited by admin on Mon Mar 31 22:58:09 GMT 2025
PRIMARY
CAS
122291-44-5
Created by admin on Mon Mar 31 22:58:09 GMT 2025 , Edited by admin on Mon Mar 31 22:58:09 GMT 2025
SUPERSEDED
FDA UNII
ZV4QC18D1N
Created by admin on Mon Mar 31 22:58:09 GMT 2025 , Edited by admin on Mon Mar 31 22:58:09 GMT 2025
PRIMARY
ECHA (EC/EINECS)
223-949-4
Created by admin on Mon Mar 31 22:58:09 GMT 2025 , Edited by admin on Mon Mar 31 22:58:09 GMT 2025
PRIMARY