ISOTHIOCYANIC ACID M-XYLYLENE ESTER

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H8N2S2
Molecular Weight	220.314
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of ISOTHIOCYANIC ACID M-XYLYLENE ESTER

Structure Search

SMILES

S=C=NCC1=CC(CN=C=S)=CC=C1

InChI

InChIKey=MSYVWTFRPITMBO-UHFFFAOYSA-N

InChI=1S/C10H8N2S2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h1-4H,5-6H2

HIDE SMILES / InChI

Molecular Formula	C10H8N2S2
Molecular Weight	220.314
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:35:40 GMT 2025` Edited by `admin` on `Tue Apr 01 19:35:40 GMT 2025`
Record UNII	1Q4IQ92LJI
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-159971

Preferred Name

English

ISOTHIOCYANIC ACID M-XYLYLENE ESTER

Common Name

English

1,3-BIS(ISOTHIOCYANATOMETHYL)BENZENE

Systematic Name

English

BENZENE, 1,3-BIS(ISOTHIOCYANATOMETHYL)-

Systematic Name

English

ISOTHIOCYANIC ACID, M-PHENYLENEDIMETHYLENE ESTER

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90182445

Created by admin on Tue Apr 01 19:35:40 GMT 2025 , Edited by admin on Tue Apr 01 19:35:40 GMT 2025

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CAS

28170-90-3

Created by admin on Tue Apr 01 19:35:40 GMT 2025 , Edited by admin on Tue Apr 01 19:35:40 GMT 2025

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NSC

159971

Created by admin on Tue Apr 01 19:35:40 GMT 2025 , Edited by admin on Tue Apr 01 19:35:40 GMT 2025

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FDA UNII

1Q4IQ92LJI

Created by admin on Tue Apr 01 19:35:40 GMT 2025 , Edited by admin on Tue Apr 01 19:35:40 GMT 2025

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PUBCHEM

34179

Created by admin on Tue Apr 01 19:35:40 GMT 2025 , Edited by admin on Tue Apr 01 19:35:40 GMT 2025

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