Pyridine, 2-[[[2,5-bis(1-methylethyl)phenyl]methyl]sulfinyl]-, 1-oxide
Basic information
- CAS
62382-06-3- Standard SMILES
CC(C)c1ccc(C(C)C)c(CS(=O)c2cccc[n+]2[O-])c1- InChIKey
MGUXULOEAVUBNJ-UHFFFAOYSA-N- Molecular formula
- C18H23NO2S
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.14495015
Names & identifiers
- Preferred name
- Pyridine, 2-[[[2,5-bis(1-methylethyl)phenyl]methyl]sulfinyl]-, 1-oxide
- IUPAC
- 2-[[2,5-di(propan-2-yl)phenyl]methylsulfinyl]-1-oxidopyridin-1-ium
Names & synonyms
62382-06-3Pyridine, 2-[[[2,5-bis(1-methylethyl)phenyl]methyl]sulfinyl]-, 1-oxideDTXSID903333542-(2,5-Diisopropyl-phenylmethanesulfinyl)-pyridine, 1-oxide2-[(2,5-diisopropylphenyl)methylsulfinyl]-1-oxido-pyridin-1-ium2-{[2,5-Di(propan-2-yl)phenyl]methanesulfinyl}-1-oxo-1lambda~5~-pyridine
Database identifiers
- CAS
62382-06-3- PubChem CID
- 501083
- DTXSID
DTXSID90333354
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 372
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Compound notes
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