HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Ethyl-6-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-ethyl-6-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
![3-Ethyl-6-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole molecular structure](/img/chemical/178819856.png)
Identifiers & Physical Properties
| CAS No. | 724430-62-0 |
|---|---|
| Molecular formula | C12H9F3N4S |
| Average molar mass | 298.29 g/mol |
| SMILES | CCc1nnc2sc(-c3cccc(C(F)(F)F)c3)nn12 |
| InChIKey | HOUROSKOZQFGSC-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 71.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 2 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 354 |