5-(Phenylsulfanyl)-6-(pyridin-3-YL)hex-5-EN-1-OL
Basic information
- CAS
830320-24-6- Standard SMILES
OCCCCC(=Cc1cccnc1)Sc1ccccc1- InChIKey
JJBUIUVHEHHSMV-UHFFFAOYSA-N- Molecular formula
- C17H19NOS
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.1187354
Names & identifiers
- Preferred name
- 5-(Phenylsulfanyl)-6-(pyridin-3-YL)hex-5-EN-1-OL
- IUPAC
- 5-phenylsulfanyl-6-pyridin-3-ylhex-5-en-1-ol
Names & synonyms
830320-24-6DTXSID808359985-(PHENYLSULFANYL)-6-(PYRIDIN-3-YL)HEX-5-EN-1-OL
Database identifiers
- CAS
830320-24-6- PubChem CID
- 71416622
- DTXSID
DTXSID80835998
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 287
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Compound notes
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