2-(1-Phenylethylsulfanyl)ethanol
Basic information
- CAS
90925-33-0- Standard SMILES
CC(SCCO)c1ccccc1- InChIKey
QQWIXUWVAPSCGT-UHFFFAOYSA-N- Molecular formula
- C10H14OS
- Average molar mass
- 182.28 g/mol
- Monoisotopic mass
- 182.07653624
Names & identifiers
- Preferred name
- 2-(1-Phenylethylsulfanyl)ethanol
- IUPAC
- 2-(1-phenylethylsulfanyl)ethanol
Names & synonyms
90925-33-02-(1-phenylethylsulfanyl)ethanolNSC404011SCHEMBL13934689DTXSID10323439AKOS008959870NSC-4040112-[(1-Phenylethyl)sulfanyl]ethan-1-ol
Database identifiers
- CAS
90925-33-0- PubChem CID
- 346013
- DTXSID
DTXSID10323439
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 110
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Related reactions
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Compound notes
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