4-(2-Phenyl-1,3-dithian-2-yl)oxolan-2-one
Basic information
- CAS
62096-76-8- Standard SMILES
O=C1CC(C2(c3ccccc3)SCCCS2)CO1- InChIKey
XZWIAJAXAGWQPG-UHFFFAOYSA-N- Molecular formula
- C14H16O2S2
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.0591721
Names & identifiers
- Preferred name
- 4-(2-Phenyl-1,3-dithian-2-yl)oxolan-2-one
- IUPAC
- 4-(2-phenyl-1,3-dithian-2-yl)oxolan-2-one
Names & synonyms
62096-76-84-(2-phenyl-1,3-dithian-2-yl)oxolan-2-oneNSC283802DTXSID40314456NSC-283802
Database identifiers
- CAS
62096-76-8- PubChem CID
- 323449
- DTXSID
DTXSID40314456
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
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Compound notes
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