Basic information
- CAS
62581-31-1- Standard SMILES
CS(=O)(=O)[O-].C[n+]1ccccc1C#N- InChIKey
SZOCTOZMEHQPMF-UHFFFAOYSA-M- Molecular formula
- C8H10N2O3S
- Average molar mass
- 214.24 g/mol
- Monoisotopic mass
- 214.04121336
Names & identifiers
- Preferred name
- 2-Cyano-1-methylpyridin-1-ium methanesulfonate
- IUPAC
- methanesulfonate;1-methylpyridin-1-ium-2-carbonitrile
Names & synonyms
DTXSID0097815962581-31-12-Cyano-1-methylpyridin-1-ium methanesulfonateRefChem:1062880DTXCID801405483N-Methylpyridinium-2-nitrile methanesulphonatePyridinium, 2-cyano-1-methyl-, methanesulfonatePyridinium, N-methyl-, 2-nitrile methanesulphonate
Database identifiers
- CAS
62581-31-1- PubChem CID
- 112866
- DTXSID
DTXSID00978159
Properties
Computed structural properties
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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