Pyridine, 2-[[(2-ethoxyphenyl)methyl]sulfinyl]-, 1-oxide
Basic information
- CAS
62382-19-8- Standard SMILES
CCOc1ccccc1CS(=O)c1cccc[n+]1[O-]- InChIKey
MAVVKWRTWYYELR-UHFFFAOYSA-N- Molecular formula
- C14H15NO3S
- Average molar mass
- 277.34 g/mol
- Monoisotopic mass
- 277.07726451
Names & identifiers
- Preferred name
- Pyridine, 2-[[(2-ethoxyphenyl)methyl]sulfinyl]-, 1-oxide
- IUPAC
- 2-[(2-ethoxyphenyl)methylsulfinyl]-1-oxidopyridin-1-ium
Names & synonyms
62382-19-8Pyridine, 2-[[(2-ethoxyphenyl)methyl]sulfinyl]-, 1-oxideDTXSID803333632-(2-Ethoxy-phenylmethanesulfinyl)-pyridine, 1-oxide2-[(2-ethoxyphenyl)methylsulfinyl]-1-oxido-pyridin-1-ium2-[(2-Ethoxyphenyl)methanesulfinyl]-1-oxo-1lambda~5~-pyridine
Database identifiers
- CAS
62382-19-8- PubChem CID
- 501097
- DTXSID
DTXSID80333363
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
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Compound notes
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