Basic information
- Standard SMILES
[O-][n+]1ccccc1SCc1c(Cl)cccc1Cl- InChIKey
HRWUFIUAEIXBHL-UHFFFAOYSA-N- Molecular formula
- C12H9Cl2NOS
- Average molar mass
- 286.2 g/mol
Names & identifiers
- Preferred name
- 2-(2,6-dichlorophenylmethylthio)pyridine N-oxide
- IUPAC
- 2-[(2,6-dichlorophenyl)methylsulfanyl]-1-oxidopyridin-1-ium
Names & synonyms
2-(2,6-dichlorophenylmethylthio)pyridine N-oxideSCHEMBL5953398HRWUFIUAEIXBHL-UHFFFAOYSA-NAKOS0170036912-(2,6-dichlorophenylmethylthio) pyridine N-oxide
Database identifiers
- PubChem CID
- 12431503
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 235
Related reactions
6 records
Compound notes
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