2-Pyridinemethanethiol, 1-oxide, hydrochloride
Basic information
- CAS
2554-66-7- Standard SMILES
Cl.[O-][n+]1ccccc1CS- InChIKey
AKORLYJQYIBPIC-UHFFFAOYSA-N- Molecular formula
- C6H8ClNOS
- Average molar mass
- 177.65 g/mol
- Monoisotopic mass
- 177.0015127
Names & identifiers
- Preferred name
- 2-Pyridinemethanethiol, 1-oxide, hydrochloride
- IUPAC
- (1-oxidopyridin-1-ium-2-yl)methanethiol;hydrochloride
Names & synonyms
2-Pyridinemethanethiol, 1-oxide, hydrochloride2-Pyridinemethanethiol N-oxide hydrochloride2554-66-7DTXSID80180233RefChem:266632DTXCID90102724(1-Oxo-1lambda~5~-pyridin-2-yl)methanethiol--hydrogen chloride (1/1)
Database identifiers
- CAS
2554-66-7- PubChem CID
- 200706
- DTXSID
DTXSID80180233
Properties
Computed structural properties
- Topological polar surface area
- 26.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 89.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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