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Details

Stereochemistry ACHIRAL
Molecular Formula C7H7NO2S
Molecular Weight 169.201
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4-PYRIDYLTHIO)ACETIC ACID

SMILES

OC(=O)CSC1=CC=NC=C1

InChI

InChIKey=PGUPJAPHYIEKLT-UHFFFAOYSA-N
InChI=1S/C7H7NO2S/c9-7(10)5-11-6-1-3-8-4-2-6/h1-4H,5H2,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C7H7NO2S
Molecular Weight 169.201
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 19:02:18 GMT 2025
Edited
by admin
on Tue Apr 01 19:02:18 GMT 2025
Record UNII
RJM84D83B7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETIC ACID, (4-PYRIDINYLTHIO)-
Preferred Name English
(4-PYRIDYLTHIO)ACETIC ACID
Systematic Name English
2-(4-PYRIDINYLTHIO)ACETIC ACID
Systematic Name English
2-PYRIDIN-4-YLSULFANYLACETIC ACID
Systematic Name English
ACETIC ACID, 2-(4-PYRIDINYLTHIO)-
Systematic Name English
4-PYRIDYLMERCAPTOACETIC ACID
Common Name English
4-PYRIDYLTHIOACETIC ACID
Common Name English
Code System Code Type Description
PUBCHEM
82574
Created by admin on Tue Apr 01 19:02:18 GMT 2025 , Edited by admin on Tue Apr 01 19:02:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID2065048
Created by admin on Tue Apr 01 19:02:18 GMT 2025 , Edited by admin on Tue Apr 01 19:02:18 GMT 2025
PRIMARY
ECHA (EC/EINECS)
233-765-6
Created by admin on Tue Apr 01 19:02:18 GMT 2025 , Edited by admin on Tue Apr 01 19:02:18 GMT 2025
PRIMARY
CAS
10351-19-6
Created by admin on Tue Apr 01 19:02:18 GMT 2025 , Edited by admin on Tue Apr 01 19:02:18 GMT 2025
PRIMARY
FDA UNII
RJM84D83B7
Created by admin on Tue Apr 01 19:02:18 GMT 2025 , Edited by admin on Tue Apr 01 19:02:18 GMT 2025
PRIMARY