Basic information
- CAS
51763-19-0- Standard SMILES
O=C(O)c1cccc2c1S(=O)(=O)c1ccccc1C2=O- InChIKey
HWWLQYBCAODZCA-UHFFFAOYSA-N- Molecular formula
- C14H8O5S
- Average molar mass
- 288.28 g/mol
- Monoisotopic mass
- 288.00924453
Names & identifiers
- Preferred name
- 9H-Thioxanthene-4-carboxylic acid, 9-oxo-, 10,10-dioxide
- IUPAC
- 9,10,10-trioxothioxanthene-4-carboxylic acid
Names & synonyms
51763-19-09H-Thioxanthene-4-carboxylic acid, 9-oxo-, 10,10-dioxideSCHEMBL11635209DTXSID103304019,10,10-Trioxo-9,10-dihydro-10lambda~6~-thioxanthene-4-carboxylic acid
Database identifiers
- CAS
51763-19-0- PubChem CID
- 429299
- DTXSID
DTXSID10330401
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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