TOLUENE 2,4-DIISOTHIOCYANATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H6N2S2
Molecular Weight	206.287
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of TOLUENE 2,4-DIISOTHIOCYANATE

Structure Search

SMILES

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

InChI

InChIKey=NNMVCFPMIBOZCL-UHFFFAOYSA-N

InChI=1S/C9H6N2S2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula	C9H6N2S2
Molecular Weight	206.287
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 `Mon Mar 31 19:54:40 GMT 2025` Edited by `admin` on `Mon Mar 31 19:54:40 GMT 2025`
Record UNII	PP687Z493E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TOLUENE 2,4-DIISOTHIOCYANATE

Common Name

English

NSC-511742

Preferred Name

English

2,4-Diisothiocyanato-1-methylbenzene

Systematic Name

English

Code System Code Type Description

NSC

511742

Created by admin on Mon Mar 31 19:54:40 GMT 2025 , Edited by admin on Mon Mar 31 19:54:40 GMT 2025

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FDA UNII

PP687Z493E

Created by admin on Mon Mar 31 19:54:40 GMT 2025 , Edited by admin on Mon Mar 31 19:54:40 GMT 2025

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CAS

4891-66-1

Created by admin on Mon Mar 31 19:54:40 GMT 2025 , Edited by admin on Mon Mar 31 19:54:40 GMT 2025

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PUBCHEM

21008

Created by admin on Mon Mar 31 19:54:40 GMT 2025 , Edited by admin on Mon Mar 31 19:54:40 GMT 2025

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EPA CompTox

DTXSID30197639

Created by admin on Mon Mar 31 19:54:40 GMT 2025 , Edited by admin on Mon Mar 31 19:54:40 GMT 2025

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