3-Bromo-1-[(butylsulfanyl)methyl]quinolin-1-ium chloride
Basic information
- CAS
114076-91-4- Standard SMILES
CCCCSC[n+]1cc(Br)cc2ccccc21.[Cl-]- InChIKey
WHDKBFOAKCPZKM-UHFFFAOYSA-M- Molecular formula
- C14H17BrClNS
- Average molar mass
- 346.7 g/mol
- Monoisotopic mass
- 344.99536
Names & identifiers
- Preferred name
- 3-Bromo-1-[(butylsulfanyl)methyl]quinolin-1-ium chloride
- IUPAC
- 3-bromo-1-(butylsulfanylmethyl)quinolin-1-ium chloride
Names & synonyms
114076-91-4DTXSID105538353-BROMO-1-[(BUTYLSULFANYL)METHYL]QUINOLIN-1-IUM CHLORIDE
Database identifiers
- CAS
114076-91-4- PubChem CID
- 13985779
- DTXSID
DTXSID10553835
Properties
Computed structural properties
- Topological polar surface area
- 29.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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