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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H12O2S
Molecular Weight 196.266
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(PHENYLTHIO)BUTYRIC ACID

SMILES

OC(=O)CCCSC1=CC=CC=C1

InChI

InChIKey=HHZVQLOVHIDMBD-UHFFFAOYSA-N
InChI=1S/C10H12O2S/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)

HIDE SMILES / InChI

Approval Year

Name Type Language
4-(PHENYLTHIO)BUTYRIC ACID
Systematic Name English
NSC-115787
Preferred Name English
BUTANOIC ACID, 4-(PHENYLTHIO)-
Common Name English
.GAMMA.-PHENYLMERCAPTOBUTYRIC ACID
Systematic Name English
4-(PHENYLSULFANYL)BUTYRIC ACID
Systematic Name English
.GAMMA.-(PHENYLTHIO)BUTYRIC ACID
Systematic Name English
BUTYRIC ACID, 4-(PHENYLTHIO)-
Systematic Name English
4-(PHENYLSULFANYL)BUTANOIC ACID
Systematic Name English
Code System Code Type Description
NSC
115787
Created by admin on Tue Apr 01 19:51:13 GMT 2025 , Edited by admin on Tue Apr 01 19:51:13 GMT 2025
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EPA CompTox
DTXSID10170304
Created by admin on Tue Apr 01 19:51:13 GMT 2025 , Edited by admin on Tue Apr 01 19:51:13 GMT 2025
PRIMARY
FDA UNII
XQ70H061FX
Created by admin on Tue Apr 01 19:51:13 GMT 2025 , Edited by admin on Tue Apr 01 19:51:13 GMT 2025
PRIMARY
PUBCHEM
97324
Created by admin on Tue Apr 01 19:51:13 GMT 2025 , Edited by admin on Tue Apr 01 19:51:13 GMT 2025
PRIMARY
CAS
17742-51-7
Created by admin on Tue Apr 01 19:51:13 GMT 2025 , Edited by admin on Tue Apr 01 19:51:13 GMT 2025
PRIMARY