Basic information
- CAS
62381-93-5- Standard SMILES
Cc1ccc(CS(=O)c2cccc[n+]2[O-])cc1- InChIKey
XMXPDZKCTRNRHB-UHFFFAOYSA-N- Molecular formula
- C13H13NO2S
- Average molar mass
- 247.31 g/mol
- Monoisotopic mass
- 247.06669983
Names & identifiers
- Preferred name
- Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxide
- IUPAC
- 2-[(4-methylphenyl)methylsulfinyl]-1-oxidopyridin-1-ium
Names & synonyms
62381-93-5Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxideDTXSID003333452-p-Tolylmethanesulfinyl-pyridine, 1-oxide1-oxido-2-(p-tolylmethylsulfinyl)pyridin-1-ium2-[(4-Methylphenyl)methanesulfinyl]-1-oxo-1lambda~5~-pyridine
Database identifiers
- CAS
62381-93-5- PubChem CID
- 501072
- DTXSID
DTXSID00333345
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
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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