Pyridine, 2-[[(2-methylphenyl)methyl]sulfonyl]-, 1-oxide
Basic information
- CAS
60263-97-0- Standard SMILES
Cc1ccccc1CS(=O)(=O)c1cccc[n+]1[O-]- InChIKey
JQJMMGMAJJESQZ-UHFFFAOYSA-N- Molecular formula
- C13H13NO3S
- Average molar mass
- 263.31 g/mol
- Monoisotopic mass
- 263.06161445
Names & identifiers
- Preferred name
- Pyridine, 2-[[(2-methylphenyl)methyl]sulfonyl]-, 1-oxide
- IUPAC
- 2-[(2-methylphenyl)methylsulfonyl]-1-oxidopyridin-1-ium
Names & synonyms
60263-97-0Pyridine, 2-[[(2-methylphenyl)methyl]sulfonyl]-, 1-oxideSCHEMBL5953072DTXSID003333402-o-Tolylmethanesulfonyl-pyridine, 1-oxide2-(o-tolylmethylsulfonyl)-1-oxido-pyridin-1-ium2-[(2-Methylphenyl)methanesulfonyl]-1-oxo-1lambda~5~-pyridine
Database identifiers
- CAS
60263-97-0- PubChem CID
- 501067
- DTXSID
DTXSID00333340
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 363
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Related reactions
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Compound notes
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