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Details

Stereochemistry ACHIRAL
Molecular Formula C9H10O2S
Molecular Weight 182.24
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (BENZYLTHIO)ACETIC ACID

SMILES

OC(=O)CSCC1=CC=CC=C1

InChI

InChIKey=AWLVTQRRKPBQEQ-UHFFFAOYSA-N
InChI=1S/C9H10O2S/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C9H10O2S
Molecular Weight 182.24
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:28:35 GMT 2025
Edited
by admin
on Tue Apr 01 19:28:35 GMT 2025
Record UNII
RW6M2YXX8H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(BENZYLTHIO)ACETIC ACID
Systematic Name English
NSC-26553
Preferred Name English
ACETIC ACID, ((PHENYLMETHYL)THIO)-
Systematic Name English
ACETIC ACID, 2-((PHENYLMETHYL)THIO)-
Systematic Name English
2-((PHENYLMETHYL)THIO)ACETIC ACID
Systematic Name English
ACETIC ACID, (BENZYLTHIO)-
Systematic Name English
Code System Code Type Description
PUBCHEM
66897
Created by admin on Tue Apr 01 19:28:35 GMT 2025 , Edited by admin on Tue Apr 01 19:28:35 GMT 2025
PRIMARY
ECHA (EC/EINECS)
203-114-0
Created by admin on Tue Apr 01 19:28:35 GMT 2025 , Edited by admin on Tue Apr 01 19:28:35 GMT 2025
PRIMARY
FDA UNII
RW6M2YXX8H
Created by admin on Tue Apr 01 19:28:35 GMT 2025 , Edited by admin on Tue Apr 01 19:28:35 GMT 2025
PRIMARY
EPA CompTox
DTXSID2059273
Created by admin on Tue Apr 01 19:28:35 GMT 2025 , Edited by admin on Tue Apr 01 19:28:35 GMT 2025
PRIMARY
NSC
26553
Created by admin on Tue Apr 01 19:28:35 GMT 2025 , Edited by admin on Tue Apr 01 19:28:35 GMT 2025
PRIMARY
CAS
103-46-8
Created by admin on Tue Apr 01 19:28:35 GMT 2025 , Edited by admin on Tue Apr 01 19:28:35 GMT 2025
PRIMARY