3-{2-[(4-Bromophenyl)sulfanyl]oct-1-EN-1-YL}pyridine
Basic information
- CAS
830320-16-6- Standard SMILES
CCCCCCC(=Cc1cccnc1)Sc1ccc(Br)cc1- InChIKey
YMWRRHDISYNLPW-UHFFFAOYSA-N- Molecular formula
- C19H22BrNS
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 375.06563
Names & identifiers
- Preferred name
- 3-{2-[(4-Bromophenyl)sulfanyl]oct-1-EN-1-YL}pyridine
- IUPAC
- 3-[2-(4-bromophenyl)sulfanyloct-1-enyl]pyridine
Names & synonyms
830320-16-6DTXSID808360063-{2-[(4-BROMOPHENYL)SULFANYL]OCT-1-EN-1-YL}PYRIDINE
Database identifiers
- CAS
830320-16-6- PubChem CID
- 71416630
- DTXSID
DTXSID80836006
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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