Cas no 81850-98-8 (Pyridine, 2-[(phenylsulfinyl)methyl]-)

Pyridine, 2-[(phenylsulfinyl)methyl]- structure
81850-98-8 structure
Product Name:Pyridine, 2-[(phenylsulfinyl)methyl]-
CAS No:81850-98-8
MF:C12H11NOS
MW:217.286841630936
CID:702794
PubChem ID:12760225
Update Time:2025-04-19

Pyridine, 2-[(phenylsulfinyl)methyl]- Chemical and Physical Properties

Names and Identifiers

    • Pyridine, 2-[(phenylsulfinyl)methyl]-
    • 2-(benzenesulfinylmethyl)pyridine
    • SCHEMBL11253725
    • 81850-98-8
    • DTXSID50509194
    • 2-[(Benzenesulfinyl)methyl]pyridine
    • Inchi: 1S/C12H11NOS/c14-15(12-7-2-1-3-8-12)10-11-6-4-5-9-13-11/h1-9H,10H2
    • InChI Key: VOLUOKCWFYPQDZ-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1)(CC1C=CC=CN=1)=O

Computed Properties

  • Exact Mass: 217.05613515g/mol
  • Monoisotopic Mass: 217.05613515g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 214
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 49.2?2
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