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Details

Stereochemistry ACHIRAL
Molecular Formula C7H4ClNS
Molecular Weight 169.631
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Chloro-4-mercaptobenzonitrile

SMILES

SC1=CC=C(C#N)C(Cl)=C1

InChI

InChIKey=YPFZXRIMRNJRBE-UHFFFAOYSA-N
InChI=1S/C7H4ClNS/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H

HIDE SMILES / InChI

Molecular Formula C7H4ClNS
Molecular Weight 169.631
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 Wed Apr 02 06:40:32 GMT 2025
Edited
by admin
on Wed Apr 02 06:40:32 GMT 2025
Record UNII
HT4S9UAM27
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Chloro-4-mercaptobenzonitrile
Systematic Name English
Benzonitrile, 2-chloro-4-mercapto-
Preferred Name English
Code System Code Type Description
FDA UNII
HT4S9UAM27
Created by admin on Wed Apr 02 06:40:32 GMT 2025 , Edited by admin on Wed Apr 02 06:40:32 GMT 2025
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PUBCHEM
13878816
Created by admin on Wed Apr 02 06:40:32 GMT 2025 , Edited by admin on Wed Apr 02 06:40:32 GMT 2025
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