Basic information
- Standard SMILES
CCCCCCSc1conc1-c1cccnc1- InChIKey
DVWDRWMPRBQZLD-UHFFFAOYSA-N- Molecular formula
- C14H18N2OS
- Average molar mass
- 262.37 g/mol
- Monoisotopic mass
- 262.11398438
Names & identifiers
- Preferred name
- 3-(4-Hexylsulfanyl-isoxazol-3-yl)-pyridine
- IUPAC
- 4-hexylsulfanyl-3-pyridin-3-yl-1,2-oxazole
Names & synonyms
SCHEMBL2122005DVWDRWMPRBQZLD-UHFFFAOYSA-N3-(4-Hexylsulfanyl-isoxazol-3-yl)-pyridine
Database identifiers
- PubChem CID
- 67284091
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 228
Related reactions
4 records
Compound notes
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