Thioxanthen-9-one 10,10-dioxide
Basic information
- CAS
3166-15-2- Standard SMILES
O=C1c2ccccc2S(=O)(=O)c2ccccc21- InChIKey
DRIRMYPZOAOUPR-UHFFFAOYSA-N- Molecular formula
- C13H8O3S
- Average molar mass
- 244.27 g/mol
- Monoisotopic mass
- 244.01941529
Names & identifiers
- Preferred name
- Thioxanthen-9-one 10,10-dioxide
- IUPAC
- 10,10-dioxothioxanthen-9-one
- English name
- 9-Oxo-9H-thioxanthene 10,10-dioxide
- Molecular formula
- C13H8O3S
- Molecular weight
- 244.27
Names & synonyms
Thioxanthen-9-one 10,10-dioxideDTXSID30277526RefChem:1100056DTXCID802286843166-15-210,10-dioxothioxanthen-9-one9H-thioxanthen-9-one 10,10-dioxideThioxanthone S,S-dioxideCHEMBL420780NSC658182NSC2729thioxanthen-9-one-10,10-dioxide
Show more names
9-Oxo-9H-thioxanthene 10,10-dioxide
Thioxanthen-9-one, 10,10-dioxide9-oxo-9H-thioxanthene-10,10-dioxide9H-Thioxanthen-9-one, 10,10-dioxidethioxanthone-10,10-dioxideSCHEMBL472539SCHEMBL3937585SCHEMBL5972625SCHEMBL29368441
Database identifiers
- CAS
3166-15-2- PubChem CID
- 220255
- DTXSID
DTXSID30277526- ChEMBL
CHEMBL420780
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 388
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 187 °C · 187 °C
- Boiling point
- 467.2 · 467.2±15.0 °C(Predicted)
- Density
- 1.444 · 1.444±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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