Pyridine, 2-[[(4-fluorophenyl)methyl]sulfinyl]-, 1-oxide
Basic information
- CAS
62381-94-6- Standard SMILES
O=S(Cc1ccc(F)cc1)c1cccc[n+]1[O-]- InChIKey
QXYCQXJHYVFAIC-UHFFFAOYSA-N- Molecular formula
- C12H10FNO2S
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.0416279
Names & identifiers
- Preferred name
- Pyridine, 2-[[(4-fluorophenyl)methyl]sulfinyl]-, 1-oxide
- IUPAC
- 2-[(4-fluorophenyl)methylsulfinyl]-1-oxidopyridin-1-ium
Names & synonyms
62381-94-6Pyridine, 2-[[(4-fluorophenyl)methyl]sulfinyl]-, 1-oxideDTXSID603333662-(4-Fluoro-phenylmethanesulfinyl)-pyridine, 1-oxide2-[(4-fluorophenyl)methylsulfinyl]-1-oxido-pyridin-1-ium2-[(4-Fluorophenyl)methanesulfinyl]-1-oxo-1lambda~5~-pyridine
Database identifiers
- CAS
62381-94-6- PubChem CID
- 501100
- DTXSID
DTXSID60333366
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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