9H-Thioxanthen-9-one, 3-(4-phenoxyphenyl)-, 10,10-dioxide
Basic information
- CAS
890045-52-0- Standard SMILES
O=C1c2ccccc2S(=O)(=O)c2cc(-c3ccc(Oc4ccccc4)cc3)ccc21- InChIKey
KNLITNCUZVAHFP-UHFFFAOYSA-N- Molecular formula
- C25H16O4S
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.07693016
Names & identifiers
- Preferred name
- 9H-Thioxanthen-9-one, 3-(4-phenoxyphenyl)-, 10,10-dioxide
- IUPAC
- 10,10-dioxo-3-(4-phenoxyphenyl)thioxanthen-9-one
Names & synonyms
890045-52-09H-Thioxanthen-9-one, 3-(4-phenoxyphenyl)-, 10,10-dioxideDTXSID104704523-(4-Phenoxyphenyl)-10lambda~6~-thioxanthene-9,10,10-trione
Database identifiers
- CAS
890045-52-0- PubChem CID
- 11675966
- DTXSID
DTXSID10470452
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 712
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