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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H6ClNOS
Molecular Weight 187.647
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-PYRIDYLMERCAPTOACETYL CHLORIDE

SMILES

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

InChI

InChIKey=IVRIXACFKSSWNB-UHFFFAOYSA-N
InChI=1S/C7H6ClNOS/c8-7(10)5-11-6-1-3-9-4-2-6/h1-4H,5H2

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
(4-PYRIDYLTHIO)ACETYL CHLORIDE
Preferred Name English
4-PYRIDYLMERCAPTOACETYL CHLORIDE
Systematic Name English
ACETYL CHLORIDE, 2-(4-PYRIDINYLTHIO)-
Systematic Name English
Code System Code Type Description
CAS
52998-13-7
Created by admin on Mon Mar 31 22:13:46 GMT 2025 , Edited by admin on Mon Mar 31 22:13:46 GMT 2025
PRIMARY
FDA UNII
7K1IV3FNY8
Created by admin on Mon Mar 31 22:13:46 GMT 2025 , Edited by admin on Mon Mar 31 22:13:46 GMT 2025
PRIMARY
ECHA (EC/EINECS)
258-287-5
Created by admin on Mon Mar 31 22:13:46 GMT 2025 , Edited by admin on Mon Mar 31 22:13:46 GMT 2025
PRIMARY
PUBCHEM
104376
Created by admin on Mon Mar 31 22:13:46 GMT 2025 , Edited by admin on Mon Mar 31 22:13:46 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966