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Details

Stereochemistry ACHIRAL
Molecular Formula C14H12N2S
Molecular Weight 240.323
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Amino-6-[(4-methylphenyl)thio]benzonitrile

SMILES

CC1=CC=C(SC2=C(C#N)C(N)=CC=C2)C=C1

InChI

InChIKey=NLGYCJNCIXKPHK-UHFFFAOYSA-N
InChI=1S/C14H12N2S/c1-10-5-7-11(8-6-10)17-14-4-2-3-13(16)12(14)9-15/h2-8H,16H2,1H3

HIDE SMILES / InChI

Molecular Formula C14H12N2S
Molecular Weight 240.323
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 05:46:59 GMT 2025
Edited
by admin
on Wed Apr 02 05:46:59 GMT 2025
Record UNII
SQA33Q2UP9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Azanyl-6-(4-methylphenyl)sulfanyl-benzenecarbonitrile
Preferred Name English
2-Amino-6-[(4-methylphenyl)thio]benzonitrile
Systematic Name English
Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]-
Systematic Name English
Code System Code Type Description
FDA UNII
SQA33Q2UP9
Created by admin on Wed Apr 02 05:46:59 GMT 2025 , Edited by admin on Wed Apr 02 05:46:59 GMT 2025
PRIMARY
PUBCHEM
486312
Created by admin on Wed Apr 02 05:46:59 GMT 2025 , Edited by admin on Wed Apr 02 05:46:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID00333143
Created by admin on Wed Apr 02 05:46:59 GMT 2025 , Edited by admin on Wed Apr 02 05:46:59 GMT 2025
PRIMARY
CAS
168910-27-8
Created by admin on Wed Apr 02 05:46:59 GMT 2025 , Edited by admin on Wed Apr 02 05:46:59 GMT 2025
PRIMARY