Basic information
- CAS
59803-22-4- Standard SMILES
O=c1c2ccccc2sc2c(O)ccc(Cl)c12- InChIKey
CHVNGPFOOJHLLJ-UHFFFAOYSA-N- Molecular formula
- C13H7ClO2S
- Average molar mass
- 262.71 g/mol
- Monoisotopic mass
- 261.98552814
Names & identifiers
- Preferred name
- 1-Chloro-4-hydroxythioxanthone
- IUPAC
- 1-chloro-4-hydroxythioxanthen-9-one
Names & synonyms
1-chloro-4-hydroxythioxanthone1-chloro-4-hydroxy-9H-thioxanthen-9-one59803-22-4SCHEMBL1615170CHEMBL4174502DTXSID80385069CHVNGPFOOJHLLJ-UHFFFAOYSA-NCCG-53986SR-01000643108-1
Database identifiers
- CAS
59803-22-4- PubChem CID
- 2825924
- DTXSID
DTXSID80385069- ChEMBL
CHEMBL4174502- EC Number
- 611-893-7
- Nikkaji
- J824.500B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 323
Related reactions
10 records
Compound notes
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