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Details

Stereochemistry ACHIRAL
Molecular Formula C9H5ClF3NS.ClH
Molecular Weight 288.117
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Chloromethyl-5-trifluoromethyl-benzothiazole hydrochloride

SMILES

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

InChI

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

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

Molecular Formula ClH
Molecular Weight 36.461
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 21:13:35 GMT 2025
Edited
by admin
on Wed Apr 02 21:13:35 GMT 2025
Record UNII
L2YQ5FZ778
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzothiazole, 2-(chloromethyl)-5-(trifluoromethyl)-, hydrochloride (1:1)
Preferred Name English
2-Chloromethyl-5-trifluoromethyl-benzothiazole hydrochloride
Systematic Name English
Code System Code Type Description
CAS
1610696-34-8
Created by admin on Wed Apr 02 21:13:35 GMT 2025 , Edited by admin on Wed Apr 02 21:13:35 GMT 2025
PRIMARY
PUBCHEM
90149965
Created by admin on Wed Apr 02 21:13:35 GMT 2025 , Edited by admin on Wed Apr 02 21:13:35 GMT 2025
PRIMARY
FDA UNII
L2YQ5FZ778
Created by admin on Wed Apr 02 21:13:35 GMT 2025 , Edited by admin on Wed Apr 02 21:13:35 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE