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

Details

Stereochemistry RACEMIC
Molecular Formula C6H12O2S
Molecular Weight 148.223
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 2-(METHYLTHIO)-BUTYRATE

SMILES

CCC(SC)C(=O)OC

InChI

InChIKey=PBYSEUNXLXTEAN-UHFFFAOYSA-N
InChI=1S/C6H12O2S/c1-4-5(9-3)6(7)8-2/h5H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C6H12O2S
Molecular Weight 148.223
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:07:07 GMT 2025
Edited
by admin
on Mon Mar 31 19:07:07 GMT 2025
Record UNII
9SE19X9J2G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(±)-BUTANOIC ACID, 2-(METHYLTHIO)-, METHYL ESTER
Preferred Name English
METHYL 2-(METHYLTHIO)-BUTYRATE
Systematic Name English
2-(METHYLTHIO)-BUTANOIC ACID METHYL ESTER
Systematic Name English
BUTANOIC ACID, 2-(METHYLTHIO)-, METHYL ESTER, (±)-
Common Name English
METHYL .ALPHA.-(METHYLSULFANYL)BUTYRATE
Systematic Name English
BUTANOIC ACID, 2-(METHYLTHIO)-, METHYL ESTER
Common Name English
Code System Code Type Description
CAS
51534-66-8
Created by admin on Mon Mar 31 19:07:07 GMT 2025 , Edited by admin on Mon Mar 31 19:07:07 GMT 2025
PRIMARY
FDA UNII
9SE19X9J2G
Created by admin on Mon Mar 31 19:07:07 GMT 2025 , Edited by admin on Mon Mar 31 19:07:07 GMT 2025
PRIMARY
PUBCHEM
560572
Created by admin on Mon Mar 31 19:07:07 GMT 2025 , Edited by admin on Mon Mar 31 19:07:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID60866205
Created by admin on Mon Mar 31 19:07:07 GMT 2025 , Edited by admin on Mon Mar 31 19:07:07 GMT 2025
PRIMARY