Basic information
- Standard SMILES
CC(=O)Oc1ccc(Cl)c2c(=O)c3ccccc3sc12- InChIKey
VRNYBRHUUMHZDJ-UHFFFAOYSA-N- Molecular formula
- C15H9ClO3S
- Average molar mass
- 304.7 g/mol
Names & identifiers
- Preferred name
- 4-Acetyloxy-1-chlorothioxanthone
- IUPAC
- (1-chloro-9-oxothioxanthen-4-yl) acetate
Names & synonyms
SCHEMBL80800774-Acetyloxy-1-chlorothioxanthoneVRNYBRHUUMHZDJ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 19938633
- Nikkaji
- J824.495B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 414
Related reactions
1 records
Compound notes
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