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

Identifiers & Physical Properties
| CAS No. | 13078-28-9 |
|---|---|
| Molecular formula | C8H8N4S |
| Average molar mass | 192.24 g/mol |
| Monoisotopic mass | 192.04696726 g/mol |
| SMILES | Cc1ccc(Nc2nnns2)cc1 |
| InChIKey | DRCBZLVTEZFGJZ-UHFFFAOYSA-N |
| PubChem CID | 738490 |
| ChEMBL | CHEMBL1456034 |
| DTXSID | DTXSID00353341 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 78.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 158 |