Basic information
- CAS
68279-00-5- Standard SMILES
CCCCCCCCSCn1cc[n+](C)c1.[Cl-]- InChIKey
SENXYYFWWUDJKG-UHFFFAOYSA-M- Molecular formula
- C13H25ClN2S
- Average molar mass
- 276.87 g/mol
- Monoisotopic mass
- 276.1426977
Names & identifiers
- Preferred name
- Ccris 2706
- IUPAC
- 1-methyl-3-(octylsulfanylmethyl)imidazol-1-ium chloride
Names & synonyms
IPO 381168279-00-5CCRIS 2706DTXSID009878073-Methyl-1-[(octylsulfanyl)methyl]-1H-imidazol-3-ium chloride
Database identifiers
- CAS
68279-00-5- PubChem CID
- 50133
- DTXSID
DTXSID00987807
Properties
Computed structural properties
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 164
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…