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Details

Stereochemistry RACEMIC
Molecular Formula C9H18O2S
Molecular Weight 190.303
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOBUTYL 3-METHYLTHIOBUTYRATE, (±)-

SMILES

CSC(C)CC(=O)OCC(C)C

InChI

InChIKey=RRGSLXQIRFOAEM-UHFFFAOYSA-N
InChI=1S/C9H18O2S/c1-7(2)6-11-9(10)5-8(3)12-4/h7-8H,5-6H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOBUTYL 3-METHYLTHIOBUTYRATE, (±)-
Systematic Name English
FEMA NO. 4150
Preferred Name English
2-METHYLPROPYL 3-(METHYLTHIO) BUTANOATE
Common Name English
BUTANOIC ACID, 3-(METHYLTHIO)-, 2-METHYLPROPYL ESTER
Common Name English
ISOBUTYL 3-(METHYLTHIO)BUTYRATE
Systematic Name English
ISOBUTYL 3-METHYLTHIOBUTYRATE
Systematic Name English
(±)-ISOBUTYL 3-METHYLTHIOBUTYRATE
Systematic Name English
Code System Code Type Description
PUBCHEM
54281757
Created by admin on Mon Mar 31 20:49:32 GMT 2025 , Edited by admin on Mon Mar 31 20:49:32 GMT 2025
PRIMARY
FDA UNII
3JQI3X5245
Created by admin on Mon Mar 31 20:49:32 GMT 2025 , Edited by admin on Mon Mar 31 20:49:32 GMT 2025
PRIMARY
CAS
127931-21-9
Created by admin on Mon Mar 31 20:49:32 GMT 2025 , Edited by admin on Mon Mar 31 20:49:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID60926030
Created by admin on Mon Mar 31 20:49:32 GMT 2025 , Edited by admin on Mon Mar 31 20:49:32 GMT 2025
PRIMARY
JECFA MONOGRAPH
1665
Created by admin on Mon Mar 31 20:49:32 GMT 2025 , Edited by admin on Mon Mar 31 20:49:32 GMT 2025
PRIMARY