Basic information
- CAS
62382-17-6- Standard SMILES
CC(c1ccc(S(C)(=O)=O)cc1)S(=O)c1cccc[n+]1[O-]- InChIKey
ORAZUTXBBXEZJF-UHFFFAOYSA-N- Molecular formula
- C14H15NO4S2
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.04425031
Names & identifiers
- Preferred name
- Pyridine, 2-[[1-[4-(methylsulfonyl)phenyl]ethyl]sulfinyl]-, 1-oxide
- IUPAC
- 2-[1-(4-methylsulfonylphenyl)ethylsulfinyl]-1-oxidopyridin-1-ium
Names & synonyms
62382-17-6Pyridine, 2-[[1-[4-(methylsulfonyl)phenyl]ethyl]sulfinyl]-, 1-oxideDTXSID203333872-[1-(4-Methanesulfonyl-phenyl)-ethanesulfinyl]-pyridine, 1-oxide2-[1-(4-methylsulfonylphenyl)ethylsulfinyl]-1-oxido-pyridin-1-ium2-{1-[4-(Methanesulfonyl)phenyl]ethanesulfinyl}-1-oxo-1lambda~5~-pyridine
Database identifiers
- CAS
62382-17-6- PubChem CID
- 501142
- DTXSID
DTXSID20333387
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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