3-CHLORO-4-METHYLPHENYL ISOTHIOCYANATE

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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-4-METHYLPHENYL ISOTHIOCYANATE

Structure Search

SMILES

CC1=C(Cl)C=C(C=C1)N=C=S

InChI

InChIKey=PQLHTYDGCDDPNU-UHFFFAOYSA-N

InChI=1S/C8H6ClNS/c1-6-2-3-7(10-5-11)4-8(6)9/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 19:36:22 GMT 2025` Edited by `admin` on `Tue Apr 01 19:36:22 GMT 2025`
Record UNII	G42J6H4VSJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-CHLORO-4-METHYLPHENYL ISOTHIOCYANATE

Systematic Name

English

NSC-135813

Preferred Name

English

3-CHLORO-P-TOLYL ISOTHIOCYANATE

Systematic Name

English

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

Systematic Name

English

2-CHLORO-4-ISOTHIOCYANATO-1-METHYLBENZENE

Systematic Name

English

Code System Code Type Description

CAS

19241-37-3

Created by admin on Tue Apr 01 19:36:22 GMT 2025 , Edited by admin on Tue Apr 01 19:36:22 GMT 2025

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NSC

135813

Created by admin on Tue Apr 01 19:36:22 GMT 2025 , Edited by admin on Tue Apr 01 19:36:22 GMT 2025

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PUBCHEM

140505

Created by admin on Tue Apr 01 19:36:22 GMT 2025 , Edited by admin on Tue Apr 01 19:36:22 GMT 2025

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EPA CompTox

DTXSID60172833

Created by admin on Tue Apr 01 19:36:22 GMT 2025 , Edited by admin on Tue Apr 01 19:36:22 GMT 2025

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FDA UNII

G42J6H4VSJ

Created by admin on Tue Apr 01 19:36:22 GMT 2025 , Edited by admin on Tue Apr 01 19:36:22 GMT 2025

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