Basic information
- Standard SMILES
O=S1(=O)c2ccccc2Cc2ccccc21- InChIKey
XEIVFUWZYMWLEP-UHFFFAOYSA-N- Molecular formula
- C13H10O2S
- Average molar mass
- 230.28 g/mol
Names & identifiers
- Preferred name
- Thioxanthene, 10,10-dioxide
- IUPAC
- 9H-thioxanthene 10,10-dioxide
Names & synonyms
9H-thioxanthene 10,10-dioxideThioxanthene, 10,10-dioxide9H-Thioxanthene, 10,10-dioxide10,10-Dioxo-thioxantheneOprea1_863972SCHEMBL290638SCHEMBL29844652SCHEMBL29958223AD-310/30361009
Database identifiers
- PubChem CID
- 596953
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 327
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
2 records
Compound notes
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