Basic information
- CAS
68279-02-7- Standard SMILES
CCCCCCCCCCCCSCn1cc[n+](C)c1.[Cl-]- InChIKey
BNKBJIGCZFFOEO-UHFFFAOYSA-M- Molecular formula
- C17H33ClN2S
- Average molar mass
- 333 g/mol
- Monoisotopic mass
- 332.2052979
Names & identifiers
- Preferred name
- 1H-Imidazolium, 3-((dodecylthio)methyl)-1-methyl-, chloride
- IUPAC
- 1-(dodecylsulfanylmethyl)-3-methylimidazol-3-ium chloride
Names & synonyms
68279-02-71H-Imidazolium, 3-((dodecylthio)methyl)-1-methyl-, chlorideDTXSID609878081-[(dodecylsulfanyl)methyl]-3-methyl-1H-imidazol-3-ium chloride
Database identifiers
- CAS
68279-02-7- PubChem CID
- 50135
- DTXSID
DTXSID60987808
Properties
Computed structural properties
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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