3-methyl-4-methylsulfanylbenzonitrile

Modify Date: 2025-09-13 09:55:08

3-methyl-4-methylsulfanylbenzonitrile Structure
3-methyl-4-methylsulfanylbenzonitrile structure
 Common Name 3-methyl-4-methylsulfanylbenzonitrile
CAS Number 918967-41-6 Molecular Weight 163.23900
Density N/A Boiling Point N/A
Molecular Formula C9H9NS Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-methyl-4-methylsulfanylbenzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C9H9NS
Molecular Weight 163.23900
Exact Mass 163.04600
PSA 49.09000
LogP 2.58858
InChIKey BGEOBICMHWOYBC-UHFFFAOYSA-N
SMILES CSc1ccc(C#N)cc1C

 Synthetic Route

4-Fluoro-3-methylbenzonitrile structure

4-Fluoro-3-meth...

CAS#:185147-08-4

Sodium thiomethoxide structure

Sodium thiomethoxide

CAS#:5188-07-8

~10%

3-methyl-4-methylsulfanylbenzonitrile Structure

3-methyl-4-meth...

CAS#:918967-41-6

Literature: BOEHRINGER INGELHEIM INTERNATIONAL GMBH; OOST, Thorsten; FIEGEN, Dennis; GNAMM, Christian Patent: WO2014/29830 A1, 2014 ; Location in patent: Page/Page column 125 ;

 Synonyms

3-methyl-4-(methylsulfanyl)benzonitrile
Benzonitrile,3-methyl-4-(methylthio)
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