Cas no 90829-73-5 (Pyridine, 2-[(4-fluorophenyl)dithio]-, 1-oxide)

Pyridine, 2-[(4-fluorophenyl)dithio]-, 1-oxide structure
90829-73-5 structure
Product Name:Pyridine, 2-[(4-fluorophenyl)dithio]-, 1-oxide
CAS No:90829-73-5
MF:C11H8FNOS2
MW:253.315723419189
CID:749665
PubChem ID:57101322
Update Time:2025-04-19

Pyridine, 2-[(4-fluorophenyl)dithio]-, 1-oxide Chemical and Physical Properties

Names and Identifiers

    • Pyridine, 2-[(4-fluorophenyl)dithio]-, 1-oxide
    • 2-[(4-fluorophenyl)disulfanyl]-1-oxidopyridin-1-ium
    • 90829-73-5
    • DTXSID80720294
    • 2-[(4-Fluorophenyl)disulfanyl]-1-oxo-1lambda~5~-pyridine
    • Inchi: 1S/C11H8FNOS2/c12-9-4-6-10(7-5-9)15-16-11-3-1-2-8-13(11)14/h1-8H
    • InChI Key: IKLNYKZGEVXDDV-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=C[N+]=1[O-])SC1C=CC(=CC=1)F

Computed Properties

  • Exact Mass: 253.00313439g/mol
  • Monoisotopic Mass: 253.00313439g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 212
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 76.1?2
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