2-[3-[4-(Methylthio)benzoyl]phenyl]propiononitrile

Base Information

• Chemical Name: 2-[3-[4-(Methylthio)benzoyl]phenyl]propiononitrile
• CAS No.: 93778-23-5
• Molecular Formula: C17H15 N O S
• Molecular Weight: 281.3721
• European Community (EC) Number: 298-158-0
• DSSTox Substance ID: DTXSID30918023
• Nikkaji Number: J348.736I
• Mol file: 93778-23-5.mol

Synonyms:EINECS 298-158-0;93778-23-5;2-[3-[4-(METHYLTHIO)BENZOYL]PHENYL]PROPIONONITRILE;2-(3-(4-(Methylthio)benzoyl)phenyl)propiononitrile;DTXSID30918023;alpha-Methyl-3-[4-(methylthio)benzoyl]benzeneacetonitrile;2-{3-[4-(METHYLSULFANYL)BENZOYL]PHENYL}PROPANENITRILE

Chemical Property of 2-[3-[4-(Methylthio)benzoyl]phenyl]propiononitrile

Chemical Property:

• Vapor Pressure: 8.11E-09mmHg at 25°C
• Boiling Point: 464.8°Cat760mmHg
• Flash Point: 234.9°C
• PSA: 66.16000
• Density: 1.18g/cm³
• LogP: 4.26658
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 281.08743528
• Heavy Atom Count: 20
• Complexity: 378

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C#N)C1=CC(=CC=C1)C(=O)C2=CC=C(C=C2)SC

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