4-Hydroxy-4-phenylthiolan-2-one
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Basic information
- CAS
71023-04-6- Standard SMILES
O=C1CC(O)(c2ccccc2)CS1- InChIKey
SXTFUKJGWRUKOV-UHFFFAOYSA-N- Molecular formula
- C10H10O2S
- Average molar mass
- 194.25 g/mol
- Monoisotopic mass
- 194.04015073
Names & identifiers
- Preferred name
- 4-Hydroxy-4-phenylthiolan-2-one
- IUPAC
- 4-hydroxy-4-phenylthiolan-2-one
Names & synonyms
71023-04-64-hydroxy-4-phenylthiolan-2-oneNSC309115DTXSID40316950NSC-309115DS-0025654-hydroxy-4-phenyldihydro-2(3H)-thiophenone2(3H)-THIOPHENONE,DIHYDRO-4-HYDROXY-4-PHENYL-
Database identifiers
- CAS
71023-04-6- PubChem CID
- 328828
- DTXSID
DTXSID40316950
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 211
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Compound notes
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