Basic information
- CAS
68279-01-6- Standard SMILES
CCCCCCCCSCN1C=C[NH+](CC)C1.[Cl-]- InChIKey
UUDOKXKHZUKBLK-UHFFFAOYSA-N- Molecular formula
- C14H29ClN2S
- Average molar mass
- 292.9 g/mol
- Monoisotopic mass
- 292.1739978
Names & identifiers
- Preferred name
- 1-Ethyl-3-[(octylsulfanyl)methyl]-2,3-dihydro-1H-imidazol-1-ium chloride
- IUPAC
- 1-ethyl-3-(octylsulfanylmethyl)-1,2-dihydroimidazol-1-ium chloride
Names & synonyms
68279-01-6DTXSID607974091-Ethyl-3-[(octylsulfanyl)methyl]-2,3-dihydro-1H-imidazol-1-ium chloride
Database identifiers
- CAS
68279-01-6- PubChem CID
- 71374635
- DTXSID
DTXSID60797409
Properties
Computed structural properties
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 206
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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