3-CHLORO-6-ISOTHIOCYANATOTOLUENE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H6ClNS
Molecular Weight	183.658
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3-CHLORO-6-ISOTHIOCYANATOTOLUENE

Structure Search

SMILES

CC1=CC(Cl)=CC=C1N=C=S

InChI

InChIKey=XTYLRVPBHHRTMS-UHFFFAOYSA-N

InChI=1S/C8H6ClNS/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula	C8H6ClNS
Molecular Weight	183.658
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:31:05 GMT 2025` Edited by `admin` on `Tue Apr 01 20:31:05 GMT 2025`
Record UNII	WV8FP23VBE
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-CHLORO-1-ISOTHIOCYANATO-2-METHYLBENZENE

Preferred Name

English

3-CHLORO-6-ISOTHIOCYANATOTOLUENE

Systematic Name

English

BENZENE, 4-CHLORO-1-ISOTHIOCYANATO-2-METHYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

WV8FP23VBE

Created by admin on Tue Apr 01 20:31:05 GMT 2025 , Edited by admin on Tue Apr 01 20:31:05 GMT 2025

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CAS

23165-53-9

Created by admin on Tue Apr 01 20:31:05 GMT 2025 , Edited by admin on Tue Apr 01 20:31:05 GMT 2025

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PUBCHEM

90021

Created by admin on Tue Apr 01 20:31:05 GMT 2025 , Edited by admin on Tue Apr 01 20:31:05 GMT 2025

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ECHA (EC/EINECS)

245-472-0

Created by admin on Tue Apr 01 20:31:05 GMT 2025 , Edited by admin on Tue Apr 01 20:31:05 GMT 2025

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EPA CompTox

DTXSID60177747

Created by admin on Tue Apr 01 20:31:05 GMT 2025 , Edited by admin on Tue Apr 01 20:31:05 GMT 2025

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