4-Methoxy-2-(methylsulfanyl)benzonitrile

Base Information

• Chemical Name: 4-Methoxy-2-(methylsulfanyl)benzonitrile
• CAS No.: 176107-19-0
• Molecular Formula: C9H9NOS
• Molecular Weight: 179.243
• DSSTox Substance ID: DTXSID80597842
• Wikidata: Q82493493

Synonyms:176107-19-0;4-Methoxy-2-methylsulfanylbenzonitrile;4-Methoxy-2-(methylsulfanyl)benzonitrile;Benzonitrile, 4-methoxy-2-(methylthio)-;4-methoxy-2-(methylthio)benzonitrile;SCHEMBL6229320;DTXSID80597842;AKOS017483594;A1-05474

Chemical Property of 4-Methoxy-2-(methylsulfanyl)benzonitrile

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 179.04048508
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)C#N)SC

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