3-Methylbenzyl thiocyanate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H9NS
Molecular Weight	163.239
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Methylbenzyl thiocyanate

Structure Search

SMILES

CC1=CC(CSC#N)=CC=C1

InChI

InChIKey=NSGWUGKMTAEVPQ-UHFFFAOYSA-N

InChI=1S/C9H9NS/c1-8-3-2-4-9(5-8)6-11-7-10/h2-5H,6H2,1H3

HIDE SMILES / InChI

Molecular Formula	C9H9NS
Molecular Weight	163.239
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 13:44:41 GMT 2025` Edited by `admin` on `Wed Apr 02 13:44:41 GMT 2025`
Record UNII	FGK68M7VN4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Methylbenzyl thiocyanate

Systematic Name

English

NSC-96974

Preferred Name

English

(3-Methylphenyl)methyl thiocyanate

Systematic Name

English

Thiocyanic acid, (3-methylphenyl)methyl ester

Systematic Name

English

m-Methylbenzyl thiocyanate

Systematic Name

English

Code System Code Type Description

NSC

96974

Created by admin on Wed Apr 02 13:44:41 GMT 2025 , Edited by admin on Wed Apr 02 13:44:41 GMT 2025

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CAS

37141-50-7

Created by admin on Wed Apr 02 13:44:41 GMT 2025 , Edited by admin on Wed Apr 02 13:44:41 GMT 2025

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EPA CompTox

DTXSID50958345

Created by admin on Wed Apr 02 13:44:41 GMT 2025 , Edited by admin on Wed Apr 02 13:44:41 GMT 2025

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FDA UNII

FGK68M7VN4

Created by admin on Wed Apr 02 13:44:41 GMT 2025 , Edited by admin on Wed Apr 02 13:44:41 GMT 2025

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PUBCHEM

97015

Created by admin on Wed Apr 02 13:44:41 GMT 2025 , Edited by admin on Wed Apr 02 13:44:41 GMT 2025

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