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

Details

Stereochemistry ABSOLUTE
Molecular Formula C5H10O2S
Molecular Weight 134.197
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 2-METHYL-3-MERCAPTOPROPIONATE, (+)-

SMILES

COC(=O)[C@@H](C)CS

InChI

InChIKey=PXSVQMKXJZTWPN-BYPYZUCNSA-N
InChI=1S/C5H10O2S/c1-4(3-8)5(6)7-2/h4,8H,3H2,1-2H3/t4-/m0/s1

HIDE SMILES / InChI

Molecular Formula C5H10O2S
Molecular Weight 134.197
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:05:44 GMT 2025
Edited
by admin
on Mon Mar 31 23:05:44 GMT 2025
Record UNII
3DW5RGL1Z9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROPANOIC ACID, 3-MERCAPTO-2-METHYL-, METHYL ESTER, (R)-
Preferred Name English
METHYL 2-METHYL-3-MERCAPTOPROPIONATE, (+)-
Systematic Name English
METHYL 2-METHYL-3-MERCAPTOPROPIONATE, (R)-
Systematic Name English
METHYL (R)-(+)-3-MERCAPTO-2-METHYLPROPANOATE
Systematic Name English
Code System Code Type Description
PUBCHEM
12963517
Created by admin on Mon Mar 31 23:05:44 GMT 2025 , Edited by admin on Mon Mar 31 23:05:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID601020619
Created by admin on Mon Mar 31 23:05:44 GMT 2025 , Edited by admin on Mon Mar 31 23:05:44 GMT 2025
PRIMARY
FDA UNII
3DW5RGL1Z9
Created by admin on Mon Mar 31 23:05:44 GMT 2025 , Edited by admin on Mon Mar 31 23:05:44 GMT 2025
PRIMARY
CAS
86961-09-3
Created by admin on Mon Mar 31 23:05:44 GMT 2025 , Edited by admin on Mon Mar 31 23:05:44 GMT 2025
PRIMARY