Basic information
- CAS
33665-93-9- Standard SMILES
O=C1C=C(c2ccccc2)OS(=O)(=O)N1- InChIKey
TXRFJCDQHFMWAV-UHFFFAOYSA-N- Molecular formula
- C9H7NO4S
- Average molar mass
- 225.22 g/mol
- Monoisotopic mass
- 225.00957888
Names & identifiers
- Preferred name
- 6-Phenyl-2H-1,2lambda~6~,3-oxathiazine-2,2,4(3H)-trione
- IUPAC
- 2,2-dioxo-6-phenyloxathiazin-4-one
Names & synonyms
33665-93-9SCHEMBL3183012DTXSID805374606-Phenyl-2H-1,2lambda~6~,3-oxathiazine-2,2,4(3H)-trione
Database identifiers
- CAS
33665-93-9- PubChem CID
- 13341981
- DTXSID
DTXSID80537460
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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