1-Phenyl-2-(phenylsulfinyl)ethanol
Basic information
- CAS
49639-26-1- Standard SMILES
O=S(CC(O)c1ccccc1)c1ccccc1- InChIKey
HDGGJVKMRKWGGQ-UHFFFAOYSA-N- Molecular formula
- C14H14O2S
- Average molar mass
- 246.33 g/mol
- Monoisotopic mass
- 246.07145086
Names & identifiers
- Preferred name
- 1-Phenyl-2-(phenylsulfinyl)ethanol
- IUPAC
- 2-(benzenesulfinyl)-1-phenylethanol
Names & synonyms
1-Phenyl-2-(phenylsulfinyl)ethanol49639-26-1NSC149681NSC 149681MLS0031062882-(Benzenesulfinyl)-1-phenylethan-1-olCHEMBL2355181DTXSID409643142-(benzenesulfinyl)-1-phenyl-ethanolNSC-149681SMR001821197
Database identifiers
- CAS
49639-26-1- PubChem CID
- 288472
- DTXSID
DTXSID40964314- ChEMBL
CHEMBL2355181- Nikkaji
- J718.830G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
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Related reactions
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Compound notes
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