Basic information
- CAS
60264-21-3- Standard SMILES
Cc1ccccc1CS(=O)c1cccc[n+]1[O-]- InChIKey
SQZYYVDMXDGIKX-UHFFFAOYSA-N- Molecular formula
- C13H13NO2S
- Average molar mass
- 247.31 g/mol
- Monoisotopic mass
- 247.06669966
Names & identifiers
- Preferred name
- Pyridine, 2-[[(2-methylphenyl)methyl]sulfinyl]-, 1-oxide
- IUPAC
- 2-[(2-methylphenyl)methylsulfinyl]-1-oxidopyridin-1-ium
Names & synonyms
60264-21-3Pyridine, 2-[[(2-methylphenyl)methyl]sulfinyl]-, 1-oxide2-(2-Methylphenylmethylsulfinyl)pyridine N-oxideSCHEMBL11655708DTXSID60333341SQZYYVDMXDGIKX-UHFFFAOYSA-N2-o-Tolylmethanesulfinyl-pyridine, 1-oxide2-(2-Methylphenylmethysulfinyl)pyridine N-oxide2-(o-tolylmethylsulfinyl)-1-oxido-pyridin-1-ium2-[(2-Methylphenyl)methanesulfinyl]-1-oxo-1lambda~5~-pyridine
Database identifiers
- CAS
60264-21-3- PubChem CID
- 501068
- DTXSID
DTXSID60333341
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
3 records
Compound notes
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