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Details

Stereochemistry ACHIRAL
Molecular Formula C9H5ClF3NS
Molecular Weight 251.656
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Chloromethyl-5-trifluoromethylbenzothiazole

SMILES

FC(F)(F)C1=CC=C2SC(CCl)=NC2=C1

InChI

InChIKey=VMVSSVCXGNALAH-UHFFFAOYSA-N
InChI=1S/C9H5ClF3NS/c10-4-8-14-6-3-5(9(11,12)13)1-2-7(6)15-8/h1-3H,4H2

HIDE SMILES / InChI

Molecular Formula C9H5ClF3NS
Molecular Weight 251.656
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 20:31:51 GMT 2025
Edited
by admin
on Wed Apr 02 20:31:51 GMT 2025
Record UNII
4438LZ5RBA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Chloromethyl-5-trifluoromethylbenzothiazole
Systematic Name English
2-(Chloromethyl)-5-(trifluoromethyl)-1,3-benzothiazole
Preferred Name English
2-(Chloromethyl)-5-(trifluoromethyl)benzothiazole
Systematic Name English
5-(Trifluoromethyl)-2-(chloromethyl)benzothiazole
Systematic Name English
Benzothiazole, 2-(chloromethyl)-5-(trifluoromethyl)-
Systematic Name English
Code System Code Type Description
FDA UNII
4438LZ5RBA
Created by admin on Wed Apr 02 20:31:51 GMT 2025 , Edited by admin on Wed Apr 02 20:31:51 GMT 2025
PRIMARY
CAS
110704-50-2
Created by admin on Wed Apr 02 20:31:51 GMT 2025 , Edited by admin on Wed Apr 02 20:31:51 GMT 2025
PRIMARY
PUBCHEM
14204205
Created by admin on Wed Apr 02 20:31:51 GMT 2025 , Edited by admin on Wed Apr 02 20:31:51 GMT 2025
PRIMARY
Related Record Type Details
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