1-((Octylthio)methyl)pyridinium, chloride
Basic information
- CAS
68278-98-8- Standard SMILES
CCCCCCCCSC[n+]1ccccc1.[Cl-]- InChIKey
FQDFCTQORXDEDB-UHFFFAOYSA-M- Molecular formula
- C14H24ClNS
- Average molar mass
- 273.9 g/mol
- Monoisotopic mass
- 273.1317986
Names & identifiers
- Preferred name
- 1-((Octylthio)methyl)pyridinium, chloride
- IUPAC
- 1-(octylsulfanylmethyl)pyridin-1-ium chloride
Names & synonyms
1-((OCTYLTHIO)METHYL)PYRIDINIUM, CHLORIDE68278-98-8RefChem:222184DTXSID40987806octyl-thiomethylpyridinium chloride1-[(OCTYLSULFANYL)METHYL]PYRIDIN-1-IUM CHLORIDE
Database identifiers
- CAS
68278-98-8- PubChem CID
- 50131
- DTXSID
DTXSID40987806
Properties
Computed structural properties
- Topological polar surface area
- 29.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 144
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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