Pyridine, 2-[(phenylmethyl)sulfinyl]-, 1-oxide
Basic information
- CAS
62381-90-2- Standard SMILES
O=S(Cc1ccccc1)c1cccc[n+]1[O-]- InChIKey
HOFCENCCZVWZEG-UHFFFAOYSA-N- Molecular formula
- C12H11NO2S
- Average molar mass
- 233.29 g/mol
- Monoisotopic mass
- 233.05104977
Names & identifiers
- Preferred name
- Pyridine, 2-[(phenylmethyl)sulfinyl]-, 1-oxide
- IUPAC
- 2-benzylsulfinyl-1-oxidopyridin-1-ium
Names & synonyms
62381-90-2Pyridine, 2-[(phenylmethyl)sulfinyl]-, 1-oxideSCHEMBL5953503DTXSID303333382-benzylsulfinyl-1-oxido-pyridin-1-ium2-Phenylmethanesulfinyl-pyridine, 1-oxide1-Oxo-2-(phenylmethanesulfinyl)-1lambda~5~-pyridine
Database identifiers
- CAS
62381-90-2- PubChem CID
- 501065
- DTXSID
DTXSID30333338- Nikkaji
- J1.819.380I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
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Related reactions
1 records
Compound notes
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