4-Chlorophenyl isothiocyanate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H4ClNS
Molecular Weight	169.631
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 4-Chlorophenyl isothiocyanate

Structure Search

SMILES

ClC1=CC=C(C=C1)N=C=S

InChI

InChIKey=MZZVFXMTZTVUFO-UHFFFAOYSA-N

InChI=1S/C7H4ClNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

HIDE SMILES / InChI

Molecular Formula	C7H4ClNS
Molecular Weight	169.631
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 `Wed Apr 02 11:27:37 GMT 2025` Edited by `admin` on `Wed Apr 02 11:27:37 GMT 2025`
Record UNII	393YTR4225
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-20213

Preferred Name

English

4-Chlorophenyl isothiocyanate

Systematic Name

English

Benzene, 1-chloro-4-isothiocyanato-

Systematic Name

English

1-Chloro-4-isothiocyanatobenzene

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70175577

Created by admin on Wed Apr 02 11:27:37 GMT 2025 , Edited by admin on Wed Apr 02 11:27:37 GMT 2025

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ECHA (EC/EINECS)

218-358-3

Created by admin on Wed Apr 02 11:27:37 GMT 2025 , Edited by admin on Wed Apr 02 11:27:37 GMT 2025

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PUBCHEM

16480

Created by admin on Wed Apr 02 11:27:37 GMT 2025 , Edited by admin on Wed Apr 02 11:27:37 GMT 2025

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NSC

20213

Created by admin on Wed Apr 02 11:27:37 GMT 2025 , Edited by admin on Wed Apr 02 11:27:37 GMT 2025

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FDA UNII

393YTR4225

Created by admin on Wed Apr 02 11:27:37 GMT 2025 , Edited by admin on Wed Apr 02 11:27:37 GMT 2025

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CAS

2131-55-7

Created by admin on Wed Apr 02 11:27:37 GMT 2025 , Edited by admin on Wed Apr 02 11:27:37 GMT 2025

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