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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H8ClN3S
Molecular Weight 213.687
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of p-Chlorobenzaldehyde 3-thiosemicarbazone

SMILES

NC(=S)N\N=C/C1=CC=C(Cl)C=C1

InChI

InChIKey=FABQYDLGFZXBIK-WZUFQYTHSA-N
InChI=1S/C8H8ClN3S/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)/b11-5-

HIDE SMILES / InChI

Approval Year

Name Type Language
p-Chlorobenzaldehyde 3-thiosemicarbazone
Systematic Name English
NSC-8277
Preferred Name English
Hydrazinecarbothioamide, 2-((4-chlorophenyl)methylene)-
Systematic Name English
2-[(4-Chlorophenyl)methylene]hydrazinecarbothioamide
Systematic Name English
Benzaldehyde, p-chloro-, 3-thiosemicarbazone
Systematic Name English
Hydrazinecarbothioamide, 2-[(4-chlorophenyl)methylene]-
Systematic Name English
AI3-23044
Code English
Code System Code Type Description
FDA UNII
4X28EYZ3WL
Created by admin on Tue Apr 01 19:59:50 GMT 2025 , Edited by admin on Tue Apr 01 19:59:50 GMT 2025
PRIMARY
NSC
8277
Created by admin on Tue Apr 01 19:59:50 GMT 2025 , Edited by admin on Tue Apr 01 19:59:50 GMT 2025
PRIMARY
PUBCHEM
5354378
Created by admin on Tue Apr 01 19:59:50 GMT 2025 , Edited by admin on Tue Apr 01 19:59:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID901285036
Created by admin on Tue Apr 01 19:59:50 GMT 2025 , Edited by admin on Tue Apr 01 19:59:50 GMT 2025
PRIMARY
CAS
5706-80-9
Created by admin on Tue Apr 01 19:59:50 GMT 2025 , Edited by admin on Tue Apr 01 19:59:50 GMT 2025
PRIMARY