4-Methyl-9H-thioxanthen-9-one
Basic information
- CAS
87548-97-8- Standard SMILES
Cc1cccc2c(=O)c3ccccc3sc12- InChIKey
IXBNDVAWTMCRPT-UHFFFAOYSA-N- Molecular formula
- C14H10OS
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.04523611
Names & identifiers
- Preferred name
- 4-Methyl-9H-thioxanthen-9-one
- IUPAC
- 4-methylthioxanthen-9-one
- English name
- 4-methyl-9H-thioxanthen-9-one
- Molecular formula
- C14H10OS
- Molecular weight
- 226.2936
Names & synonyms
4-Methyl-9H-thioxanthen-9-one87548-97-8EINECS 289-321-7DTXSID10236454RefChem:99820DTXCID10158945289-321-7CHEMBL3030504-methyl-9-oxothioxanthene4-Methyl-thioxanthen-9-oneH2A73MNC3RSCHEMBL1042694
Show more names
4-methylthioxanthone9H-Thioxanthen-9-one,4-methyl-
IXBNDVAWTMCRPT-UHFFFAOYSA-N9H-Thioxanthen-9-one, 4-methyl-BDBM50064679NS00039202
Database identifiers
- CAS
87548-97-8- PubChem CID
- 3021152
- DTXSID
DTXSID10236454- ChEMBL
CHEMBL303050- UNII
- H2A73MNC3R
- EC Number
- 289-321-7
- Nikkaji
- J334.004J
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
Physicochemical properties
- FDA UNII
- 2 A73MNC3R · H2A73MNC3R
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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