HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-(4-fluorophenyl)-1,2,3,4-thiatriazol-5-amine

Identifiers & Physical Properties
| CAS No. | 1544-80-5 |
|---|---|
| Molecular formula | C7H5FN4S |
| Average molar mass | 196.21 g/mol |
| Monoisotopic mass | 196.02189538 g/mol |
| SMILES | Fc1ccc(Nc2nnns2)cc1 |
| InChIKey | SVJUYKBOHMOAJO-UHFFFAOYSA-N |
| PubChem CID | 718655 |
| ChEMBL | CHEMBL1499368 |
| DTXSID | DTXSID201327158 |
Chemical & Physical Properties
| XLogP | 2.3 |
|---|---|
| Topological polar surface area | 78.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 2 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 163 |
| Solubility | 16.5 [ug/mL] (The mean of the results at pH 7.4) |