Basic information
- CAS
478257-06-6- Standard SMILES
O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1ccc(F)cc1- InChIKey
MWXLMLJPMKRHAM-UHFFFAOYSA-N- Molecular formula
- C20H12FNO2S
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.05727796
Names & identifiers
- Preferred name
- 4-fluoro-N-(9-oxothioxanthen-2-yl)benzamide
- IUPAC
- 4-fluoro-N-(9-oxothioxanthen-2-yl)benzamide
- English name
- 4-FLUORO-N-(9-OXO-9H-THIOXANTHEN-2-YL)BENZENECARBOXAMIDE
- Molecular formula
- C20H12FNO2S
- Molecular weight
- 349.38
Names & synonyms
478257-06-64-fluoro-N-(9-oxothioxanthen-2-yl)benzamide4-fluoro-N-(9-oxo-9H-thioxanthen-2-yl)benzamide4-fluoro-N-(9-oxo-9H-thioxanthen-2-yl)benzenecarboxamideAKOS0051018518P-570SBenzamide, 4-fluoro-N-(9-oxo-9H-thioxanthen-2-yl)-
Database identifiers
- CAS
478257-06-6- PubChem CID
- 3761481
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 520
Physicochemical properties
- Boiling point
- 467 · 467.0±45.0 °C(Predicted)
- Density
- 1.425 · 1.425±0.06 g/cm3(Predicted)
- pka
- 12.39 · 12.39±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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