2-[(2,5-Dimethylphenyl)methanesulfinyl]-4-methyl-1-oxo-1lambda~5~-pyridine
Basic information
- CAS
81167-68-2- Standard SMILES
Cc1ccc(C)c(CS(=O)c2cc(C)cc[n+]2[O-])c1- InChIKey
BOIVEWPMFMXMDW-UHFFFAOYSA-N- Molecular formula
- C15H17NO2S
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.09799996
Names & identifiers
- Preferred name
- 2-[(2,5-Dimethylphenyl)methanesulfinyl]-4-methyl-1-oxo-1lambda~5~-pyridine
- IUPAC
- 2-[(2,5-dimethylphenyl)methylsulfinyl]-4-methyl-1-oxidopyridin-1-ium
Names & synonyms
81167-68-2SCHEMBL11393559DTXSID405344302-[(2,5-Dimethylphenyl)methanesulfinyl]-4-methyl-1-oxo-1lambda~5~-pyridine
Database identifiers
- CAS
81167-68-2- PubChem CID
- 13281182
- DTXSID
DTXSID40534430
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
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Compound notes
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