97474-48-1 | Benzonitrile, 4-(methylsulfinyl)-

Availability
Typically In Stock

Description

• Catalog Number: AC95813
• Chemical Name: Benzonitrile, 4-(methylsulfinyl)-
• CAS Number: 97474-48-1
• Molecular Formula: C8H7NOS
• Molecular Weight: 165.2123
• MDL Number: MFCD28669263
• SMILES: N#Cc1ccc(cc1)S(=O)C

Computed Properties

• Complexity: 197
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Undefined Atom Stereocenter Count: 1
• XLogP3: 0.8

Literature

• Pyramidal inversion mechanism of simple chiral and achiral sulfoxides: a theoretical study.

  Chirality 20070701