4-Hydroxy-3-methyl-4-phenylthiolan-2-one
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Basic information
- CAS
71023-06-8- Standard SMILES
CC1C(=O)SCC1(O)c1ccccc1- InChIKey
IGEOMSNMQPFGDB-UHFFFAOYSA-N- Molecular formula
- C11H12O2S
- Average molar mass
- 208.28 g/mol
- Monoisotopic mass
- 208.05580079
Names & identifiers
- Preferred name
- 4-Hydroxy-3-methyl-4-phenylthiolan-2-one
- IUPAC
- 4-hydroxy-3-methyl-4-phenylthiolan-2-one
Names & synonyms
71023-06-84-hydroxy-3-methyl-4-phenylthiolan-2-oneNSC309116DTXSID00316951NSC-309116
Database identifiers
- CAS
71023-06-8- PubChem CID
- 328829
- DTXSID
DTXSID00316951
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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