Basic information
- CAS
70700-59-3- Standard SMILES
CCCCCCCCSC[n+]1cccc(C)c1.[Cl-]- InChIKey
QNPROAXXFFAWTA-UHFFFAOYSA-M- Molecular formula
- C15H26ClNS
- Average molar mass
- 287.9 g/mol
- Monoisotopic mass
- 287.1474487
Names & identifiers
- Preferred name
- N-Octylthiomethyl-3-methylpyridinium chloride
- IUPAC
- 3-methyl-1-(octylsulfanylmethyl)pyridin-1-ium chloride
Names & synonyms
70700-59-3N-Octylthiomethyl-3-methylpyridinium chlorideDTXSID209909543-METHYL-1-[(OCTYLSULFANYL)METHYL]PYRIDIN-1-IUM CHLORIDE
Database identifiers
- CAS
70700-59-3- PubChem CID
- 51135
- DTXSID
DTXSID20990954
Properties
Computed structural properties
- Topological polar surface area
- 29.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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