Basic information
- CAS
60264-17-7- Standard SMILES
Cc1ccc(C)c(CS(=O)c2cccc[n+]2[O-])c1- InChIKey
BZGDIYMJDWJNTG-UHFFFAOYSA-N- Molecular formula
- C14H15NO2S
- Average molar mass
- 261.34 g/mol
- Monoisotopic mass
- 261.08234989
Names & identifiers
- Preferred name
- Pyridine, 2-[[(2,5-dimethylphenyl)methyl]sulfinyl]-, 1-oxide
- IUPAC
- 2-[(2,5-dimethylphenyl)methylsulfinyl]-1-oxidopyridin-1-ium
Names & synonyms
60264-17-7Pyridine, 2-[[(2,5-dimethylphenyl)methyl]sulfinyl]-, 1-oxideSCHEMBL11658337DTXSID203333472-(2,5-Dimethyl-phenylmethanesulfinyl)-pyridine, 1-oxide2-[(2,5-dimethylphenyl)methylsulfinyl]-1-oxido-pyridin-1-ium2-[(2,5-Dimethylphenyl)methanesulfinyl]-1-oxo-1lambda~5~-pyridine
Database identifiers
- CAS
60264-17-7- PubChem CID
- 501075
- DTXSID
DTXSID20333347- Nikkaji
- J1.819.407D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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