Completing data — usually done within a minute
Basic information
- CAS
60263-87-8- Standard SMILES
Cc1ccc(C)c(C(C)Sc2cccc[n+]2[O-])c1- InChIKey
NNMVGDTXYHAECL-UHFFFAOYSA-N- Molecular formula
- C15H17NOS
- Average molar mass
- 259.4 g/mol
- Monoisotopic mass
- 259.10308534
Names & identifiers
- Preferred name
- 2-(1-[2,5-dimethylphenyl]-ethylthio)pyridine N-oxide
- IUPAC
- 2-[1-(2,5-dimethylphenyl)ethylsulfanyl]-1-oxidopyridin-1-ium
Names & synonyms
2-(1-[2,5-dimethylphenyl]-ethylthio)pyridine N-oxide60263-87-8SCHEMBL5952631DTXSID00333385NNMVGDTXYHAECL-UHFFFAOYSA-N2-(1-[2,5-dimethylphenyl]ethylthio)pyridine N-oxide2-[1-(2,5-Dimethyl-phenyl)-ethylsulfanyl]-pyridine, 1-oxide2-[1-(2,5-dimethylphenyl)ethylsulfanyl]-1-oxido-pyridin-1-ium2-{[1-(2,5-Dimethylphenyl)ethyl]sulfanyl}-1-oxo-1lambda~5~-pyridine
Database identifiers
- CAS
60263-87-8- PubChem CID
- 501135
- DTXSID
DTXSID00333385
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
Related reactions
4 records
Compound notes
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