3,4-DICHLOROBENZYL ISOTHIOCYANATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H5Cl2NS
Molecular Weight	218.103
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3,4-DICHLOROBENZYL ISOTHIOCYANATE

Structure Search

SMILES

ClC1=CC=C(CN=C=S)C=C1Cl

InChI

InChIKey=DPSSHXWTNIGVMQ-UHFFFAOYSA-N

InChI=1S/C8H5Cl2NS/c9-7-2-1-6(3-8(7)10)4-11-5-12/h1-3H,4H2

HIDE SMILES / InChI

Molecular Formula	C8H5Cl2NS
Molecular Weight	218.103
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 12:19:00 GMT 2025` Edited by `admin` on `Wed Apr 02 12:19:00 GMT 2025`
Record UNII	KF6B7CSR5N
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-221245

Preferred Name

English

3,4-DICHLOROBENZYL ISOTHIOCYANATE

Common Name

English

ISOTHIOCYANIC ACID, (3,4-DICHLOROBENZYL) ESTER

Common Name

English

Code System Code Type Description

FDA UNII

KF6B7CSR5N

Created by admin on Wed Apr 02 12:19:00 GMT 2025 , Edited by admin on Wed Apr 02 12:19:00 GMT 2025

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NSC

221245

Created by admin on Wed Apr 02 12:19:00 GMT 2025 , Edited by admin on Wed Apr 02 12:19:00 GMT 2025

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CAS

18967-42-5

Created by admin on Wed Apr 02 12:19:00 GMT 2025 , Edited by admin on Wed Apr 02 12:19:00 GMT 2025

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PUBCHEM

29350

Created by admin on Wed Apr 02 12:19:00 GMT 2025 , Edited by admin on Wed Apr 02 12:19:00 GMT 2025

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EPA CompTox

DTXSID20172379

Created by admin on Wed Apr 02 12:19:00 GMT 2025 , Edited by admin on Wed Apr 02 12:19:00 GMT 2025

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