Basic information
- CAS
70700-63-9- Standard SMILES
CCCCCCCCCCCCSC[n+]1cc(C)cc(C)c1.[Cl-]- InChIKey
VEMHMQJBYZUKCH-UHFFFAOYSA-M- Molecular formula
- C20H36ClNS
- Average molar mass
- 358 g/mol
- Monoisotopic mass
- 357.225699
Names & identifiers
- Preferred name
- N-Dodecylthiomethyl-3,5-dimethylpyridinium chloride
- IUPAC
- 1-(dodecylsulfanylmethyl)-3,5-dimethylpyridin-1-ium chloride
Names & synonyms
70700-63-9N-Dodecylthiomethyl-3,5-dimethylpyridinium chloride1-(Dodecylthiomethyl)-3,5-dimethylpyridine chlorideDTXSID009909571-[(Dodecylsulfanyl)methyl]-3,5-dimethylpyridin-1-ium chloride
Database identifiers
- CAS
70700-63-9- PubChem CID
- 51141
- DTXSID
DTXSID00990957
Properties
Computed structural properties
- Topological polar surface area
- 29.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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