2-(CHLOROMETHYLTHIO)BENZOTHIAZOLE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H6ClNS2
Molecular Weight	215.723
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(CHLOROMETHYLTHIO)BENZOTHIAZOLE

Structure Search

SMILES

ClCSC1=NC2=C(S1)C=CC=C2

InChI

InChIKey=HBFOPLIDEZBACO-UHFFFAOYSA-N

InChI=1S/C8H6ClNS2/c9-5-11-8-10-6-3-1-2-4-7(6)12-8/h1-4H,5H2

HIDE SMILES / InChI

Molecular Formula	C8H6ClNS2
Molecular Weight	215.723
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 `Mon Mar 31 22:07:00 GMT 2025` Edited by `admin` on `Mon Mar 31 22:07:00 GMT 2025`
Record UNII	BOX780UX13
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZOTHIAZOLE, 2-((CHLOROMETHYL)THIO)-

Preferred Name

English

2-(CHLOROMETHYLTHIO)BENZOTHIAZOLE

Systematic Name

English

Code System Code Type Description

PUBCHEM

120092

Created by admin on Mon Mar 31 22:07:00 GMT 2025 , Edited by admin on Mon Mar 31 22:07:00 GMT 2025

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ECHA (EC/EINECS)

249-306-8

Created by admin on Mon Mar 31 22:07:00 GMT 2025 , Edited by admin on Mon Mar 31 22:07:00 GMT 2025

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EPA CompTox

DTXSID4027949

Created by admin on Mon Mar 31 22:07:00 GMT 2025 , Edited by admin on Mon Mar 31 22:07:00 GMT 2025

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FDA UNII

BOX780UX13

Created by admin on Mon Mar 31 22:07:00 GMT 2025 , Edited by admin on Mon Mar 31 22:07:00 GMT 2025

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CAS

28908-00-1

Created by admin on Mon Mar 31 22:07:00 GMT 2025 , Edited by admin on Mon Mar 31 22:07:00 GMT 2025

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