6-Phenyl-1,4-oxathiin-2-one
Basic information
- CAS
53392-52-2- Standard SMILES
O=C1CSC=C(c2ccccc2)O1- InChIKey
XVZIMLNXDUQNFG-UHFFFAOYSA-N- Molecular formula
- C10H8O2S
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.02450067
Names & identifiers
- Preferred name
- 6-Phenyl-1,4-oxathiin-2-one
- IUPAC
- 6-phenyl-1,4-oxathiin-2-one
Names & synonyms
53392-52-26-phenyl-1,4-oxathiin-2-oneNSC171697DTXSID003058056-Phenyl-1,4-oxathiin-2(3H)-oneNSC-171697
Database identifiers
- CAS
53392-52-2- PubChem CID
- 299227
- DTXSID
DTXSID00305805
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 229
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Compound notes
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