Basic information
- CAS
84964-63-6- Standard SMILES
Cc1ccc2c(=O)c3ccccc3sc2c1- InChIKey
BQFSURDUHGBXFL-UHFFFAOYSA-N- Molecular formula
- C14H10OS
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.04523594
Names & identifiers
- Preferred name
- 3-Methylthioxanthone
- IUPAC
- 3-methylthioxanthen-9-one
Names & synonyms
3-methylthioxanthone3-Methyl-9H-thioxanthen-9-oneNSC6541153-methylthioxanthen-9-one84964-63-6SCHEMBL1037617CHEMBL1983105DTXSID10327412BQFSURDUHGBXFL-UHFFFAOYSA-NAKOS024333076NSC-654115NCI60_018818
Database identifiers
- CAS
84964-63-6- PubChem CID
- 375103
- DTXSID
DTXSID10327412- ChEMBL
CHEMBL1983105
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
Related reactions
2 records
Compound notes
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