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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H16OS
Molecular Weight 160.277
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-ISOPROPYL 3-METHYLTHIOBUTYRATE

SMILES

CC(C)CC(=O)SC(C)C

InChI

InChIKey=KMXYCSRBFGUVHW-UHFFFAOYSA-N
InChI=1S/C8H16OS/c1-6(2)5-8(9)10-7(3)4/h6-7H,5H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
S-ISOPROPYL 3-METHYLTHIOBUTYRATE
Systematic Name English
S-1-METHYLETHYL 3-METHYLBUTANETHIOATE
Common Name English
3-METHYLTHIOBUTYRIC ACID, S-ISOPROPYL ESTER
Common Name English
BUTANETHIOIC ACID, 3-METHYL-, S-(1-METHYLETHYL) ESTER
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
251-936-3
Created by admin on Sat Dec 16 18:53:00 GMT 2023 , Edited by admin on Sat Dec 16 18:53:00 GMT 2023
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EPA CompTox
DTXSID6067832
Created by admin on Sat Dec 16 18:53:00 GMT 2023 , Edited by admin on Sat Dec 16 18:53:00 GMT 2023
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FDA UNII
5M3JN5QUG5
Created by admin on Sat Dec 16 18:53:00 GMT 2023 , Edited by admin on Sat Dec 16 18:53:00 GMT 2023
PRIMARY
CAS
34322-06-0
Created by admin on Sat Dec 16 18:53:00 GMT 2023 , Edited by admin on Sat Dec 16 18:53:00 GMT 2023
PRIMARY
PUBCHEM
118641
Created by admin on Sat Dec 16 18:53:00 GMT 2023 , Edited by admin on Sat Dec 16 18:53:00 GMT 2023
PRIMARY