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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H7ClS
Molecular Weight 182.67
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(CHLOROMETHYL)BENZO(B)THIOPHENE

SMILES

ClCC1=CSC2=C1C=CC=C2

InChI

InChIKey=JIXGRXJTSCZWNB-UHFFFAOYSA-N
InChI=1S/C9H7ClS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5H2

HIDE SMILES / InChI

Approval Year

Name Type Language
3-(CHLOROMETHYL)-1-BENZOTHIOPHENE
Preferred Name English
3-(CHLOROMETHYL)BENZO(B)THIOPHENE
Systematic Name English
BENZO(B)THIOPHENE, 3-(CHLOROMETHYL)-
Systematic Name English
Code System Code Type Description
CAS
3216-47-5
Created by admin on Tue Apr 01 20:24:00 GMT 2025 , Edited by admin on Tue Apr 01 20:24:00 GMT 2025
PRIMARY
EPA CompTox
DTXSID80185945
Created by admin on Tue Apr 01 20:24:00 GMT 2025 , Edited by admin on Tue Apr 01 20:24:00 GMT 2025
PRIMARY
ECHA (EC/EINECS)
221-732-9
Created by admin on Tue Apr 01 20:24:00 GMT 2025 , Edited by admin on Tue Apr 01 20:24:00 GMT 2025
PRIMARY
PUBCHEM
76680
Created by admin on Tue Apr 01 20:24:00 GMT 2025 , Edited by admin on Tue Apr 01 20:24:00 GMT 2025
PRIMARY
FDA UNII
48GAW2Q2G8
Created by admin on Tue Apr 01 20:24:00 GMT 2025 , Edited by admin on Tue Apr 01 20:24:00 GMT 2025
PRIMARY