4-Benzyl-2-sulfanylphenol
Basic information
- CAS
88661-35-2- Standard SMILES
Oc1ccc(Cc2ccccc2)cc1S- InChIKey
OMPXSDAYIXVOJZ-UHFFFAOYSA-N- Molecular formula
- C13H12OS
- Average molar mass
- 216.3 g/mol
- Monoisotopic mass
- 216.06088618
Names & identifiers
- Preferred name
- 4-Benzyl-2-sulfanylphenol
- IUPAC
- 4-benzyl-2-sulfanylphenol
Names & synonyms
88661-35-24-Benzyl-2-sulfanylphenolSCHEMBL8814661DTXSID30603149
Database identifiers
- CAS
88661-35-2- PubChem CID
- 20161158
- DTXSID
DTXSID30603149
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 21.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 189
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Compound notes
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