4-Cyanophenyl isothiocyanate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H4N2S
Molecular Weight	160.196
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 4-Cyanophenyl isothiocyanate

Structure Search

SMILES

S=C=NC1=CC=C(C=C1)C#N

InChI

InChIKey=DZFKAXLNKZXNHD-UHFFFAOYSA-N

InChI=1S/C8H4N2S/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H

HIDE SMILES / InChI

Molecular Formula	C8H4N2S
Molecular Weight	160.196
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 19:03:47 GMT 2025` Edited by `admin` on `Tue Apr 01 19:03:47 GMT 2025`
Record UNII	K6GTB9PD9U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzonitrile, 4-isothiocyanato-

Preferred Name

English

4-Cyanophenyl isothiocyanate

Systematic Name

English

4-Isothiocyanatobenzonitrile

Systematic Name

English

p-Cyanophenyl isothiocyanate

Systematic Name

English

Code System Code Type Description

FDA UNII

K6GTB9PD9U

Created by admin on Tue Apr 01 19:03:47 GMT 2025 , Edited by admin on Tue Apr 01 19:03:47 GMT 2025

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EPA CompTox

DTXSID3062609

Created by admin on Tue Apr 01 19:03:47 GMT 2025 , Edited by admin on Tue Apr 01 19:03:47 GMT 2025

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PUBCHEM

17626

Created by admin on Tue Apr 01 19:03:47 GMT 2025 , Edited by admin on Tue Apr 01 19:03:47 GMT 2025

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ECHA (EC/EINECS)

220-323-2

Created by admin on Tue Apr 01 19:03:47 GMT 2025 , Edited by admin on Tue Apr 01 19:03:47 GMT 2025

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CAS

2719-32-6

Created by admin on Tue Apr 01 19:03:47 GMT 2025 , Edited by admin on Tue Apr 01 19:03:47 GMT 2025

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