Basic information
- CAS
70700-62-8- Standard SMILES
CCCCCCCCSC[n+]1cc(C)cc(C)c1.[Cl-]- InChIKey
SZIHXKBVPMHTDX-UHFFFAOYSA-M- Molecular formula
- C16H28ClNS
- Average molar mass
- 301.9 g/mol
- Monoisotopic mass
- 301.1630988
Names & identifiers
- Preferred name
- N-Octylthiomethyl-3,5-dimethylpyridinium chloride
- IUPAC
- 3,5-dimethyl-1-(octylsulfanylmethyl)pyridin-1-ium chloride
Names & synonyms
70700-62-8N-Octylthiomethyl-3,5-dimethylpyridinium chloride3,5-Dimethyl-1-(octylthiomethyl)pyridin-1-ium chlorideDTXSID409909563,5-Dimethyl-1-[(octylsulfanyl)methyl]pyridin-1-ium chloride
Database identifiers
- CAS
70700-62-8- PubChem CID
- 51139
- DTXSID
DTXSID40990956
Properties
Computed structural properties
- Topological polar surface area
- 29.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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