HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-[(4-Butoxyphenyl)sulfonyl]-2-(4-methylphenyl)-1,3-thiazolidine
Thiazolidine, 3-[(4-butoxyphenyl)sulfonyl]-2-(4-methylphenyl)- · Thiazolidine, 3-[(4-butoxyphenyl)sulfonyl]-2-(4-methylphenyl)- (9CI)
![3-[(4-Butoxyphenyl)sulfonyl]-2-(4-methylphenyl)-1,3-thiazolidine molecular structure](/img/chemical/178802467.png)
Identifiers & Physical Properties
| CAS No. | 537678-12-9 |
|---|---|
| Molecular formula | C20H25NO3S2 |
| Average molar mass | 391.6 g/mol |
| SMILES | CCCCOc1ccc(S(=O)(=O)N2CCSC2c2ccc(C)cc2)cc1 |
| InChIKey | SDXFZVXNXBEGCR-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 4.7 |
|---|---|
| Topological polar surface area | 80.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 7 |
| Heavy atoms | 26 |
| Formal charge | 0 |
| Complexity | 518 |
| Boiling point | 556.3±60.0 °C(Predicted) |
| Density | 1+-.0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | -7.78±0.40(Predicted) |