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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H6Cl3NOS
Molecular Weight 330.617
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-CHLORO-2-(3,5-DICHLOROPHENOXY)BENZOTHIAZOLE

SMILES

ClC1=CC(OC2=NC3=C(S2)C=CC=C3Cl)=CC(Cl)=C1

InChI

InChIKey=CZKFUVLVALZBLH-UHFFFAOYSA-N
InChI=1S/C13H6Cl3NOS/c14-7-4-8(15)6-9(5-7)18-13-17-12-10(16)2-1-3-11(12)19-13/h1-6H

HIDE SMILES / InChI

Molecular Formula C13H6Cl3NOS
Molecular Weight 330.617
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 11:22:42 GMT 2025
Edited
by admin
on Wed Apr 02 11:22:42 GMT 2025
Record UNII
8CTH9J8QBV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOTHIAZOLE, 4-CHLORO-2-(3,5-DICHLOROPHENOXY)-
Preferred Name English
4-CHLORO-2-(3,5-DICHLOROPHENOXY)BENZOTHIAZOLE
Systematic Name English
Code System Code Type Description
PUBCHEM
3020652
Created by admin on Wed Apr 02 11:22:42 GMT 2025 , Edited by admin on Wed Apr 02 11:22:42 GMT 2025
PRIMARY
CAS
85391-68-0
Created by admin on Wed Apr 02 11:22:42 GMT 2025 , Edited by admin on Wed Apr 02 11:22:42 GMT 2025
PRIMARY
ECHA (EC/EINECS)
286-824-3
Created by admin on Wed Apr 02 11:22:42 GMT 2025 , Edited by admin on Wed Apr 02 11:22:42 GMT 2025
PRIMARY
FDA UNII
8CTH9J8QBV
Created by admin on Wed Apr 02 11:22:42 GMT 2025 , Edited by admin on Wed Apr 02 11:22:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID50234575
Created by admin on Wed Apr 02 11:22:42 GMT 2025 , Edited by admin on Wed Apr 02 11:22:42 GMT 2025
PRIMARY