HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Benzylidene-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
5-benzylidene-3-(4-fluorobenzyl)-1,3-thiazolidine-2,4-dione
![5-Benzylidene-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione molecular structure](/img/chemical/178617536.png)
Identifiers & Physical Properties
| CAS No. | 163777-83-1 |
|---|---|
| Molecular formula | C17H12FNO2S |
| Average molar mass | 313.3 g/mol |
| Monoisotopic mass | 313.05727796 g/mol |
| SMILES | O=C1SC(=Cc2ccccc2)C(=O)N1Cc1ccc(F)cc1 |
| InChIKey | NFSIMQAJJFWONM-UHFFFAOYSA-N |
| PubChem CID | 2900189 |
Chemical & Physical Properties
| XLogP | 4 |
|---|---|
| Topological polar surface area | 62.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 465 |
| Boiling point | 469.570±55.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.408±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | -2.595±0.20(predicted) |