1-(2-(Pentylthio)phenyl)ethanol
Basic information
- CAS
1443307-56-9- Standard SMILES
CCCCCSc1ccccc1C(C)O- InChIKey
ANEYFVLBWKOHQA-UHFFFAOYSA-N- Molecular formula
- C13H20OS
- Average molar mass
- 224.36 g/mol
- Monoisotopic mass
- 224.12348643
Names & identifiers
- Preferred name
- 1-(2-(Pentylthio)phenyl)ethanol
- IUPAC
- 1-(2-pentylsulfanylphenyl)ethanol
Names & synonyms
1443307-56-91-(2-(Pentylthio)phenyl)ethanol1-[2-(n-Pentylthio)phenyl]ethanol1-(2-pentylsulfanylphenyl)ethanolMFCD22370230DTXSID1012712391-[2-(Pentylsulfanyl)phenyl]ethan-1-olBenzenemethanol, I+/--methyl-2-(pentylthio)-F394011
Database identifiers
- CAS
1443307-56-9- PubChem CID
- 91655729
- DTXSID
DTXSID101271239
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 161
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Compound notes
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