Basic information
- CAS
52197-08-7- Standard SMILES
CSc1cccc[n+]1[O-]- InChIKey
ZUZVJPRBZMABCY-UHFFFAOYSA-N- Molecular formula
- C6H7NOS
- Average molar mass
- 141.19 g/mol
- Monoisotopic mass
- 141.02483502
Names & identifiers
- Preferred name
- Pyridine, 2-(methylthio)-, 1-oxide
- IUPAC
- 2-methylsulfanyl-1-oxidopyridin-1-ium
Names & synonyms
Pyridine, 2-(methylthio)-, 1-oxide52197-08-7NSC 187560SCHEMBL8904614SCHEMBL11656888DTXSID402002242-methylsulfanyl-pyridine 1-oxideNSC187560AKOS016036685NSC-1875602-(Methylsulfanyl)-1-oxo-1lambda~5~-pyridine
Database identifiers
- CAS
52197-08-7- PubChem CID
- 99147
- DTXSID
DTXSID40200224
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 89.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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