Pyridine, 2-[[(3-methylphenyl)methyl]sulfinyl]-, 1-oxide
Basic information
- CAS
62381-88-8- Standard SMILES
Cc1cccc(CS(=O)c2cccc[n+]2[O-])c1- InChIKey
ZQEZHEYNLYKCBM-UHFFFAOYSA-N- Molecular formula
- C13H13NO2S
- Average molar mass
- 247.31 g/mol
- Monoisotopic mass
- 247.06669983
Names & identifiers
- Preferred name
- Pyridine, 2-[[(3-methylphenyl)methyl]sulfinyl]-, 1-oxide
- IUPAC
- 2-[(3-methylphenyl)methylsulfinyl]-1-oxidopyridin-1-ium
Names & synonyms
62381-88-8Pyridine, 2-[[(3-methylphenyl)methyl]sulfinyl]-, 1-oxideSCHEMBL11656187DTXSID80333343ZQEZHEYNLYKCBM-UHFFFAOYSA-N2-m-Tolylmethanesulfinyl-pyridine, 1-oxide2-(3-Methylphenylmethylsulfinyl)pyridine N-oxide2-(m-tolylmethylsulfinyl)-1-oxido-pyridin-1-ium2-[(3-Methylphenyl)methanesulfinyl]-1-oxo-1lambda~5~-pyridine
Database identifiers
- CAS
62381-88-8- PubChem CID
- 501070
- DTXSID
DTXSID80333343
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
2 records
Compound notes
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