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

Identifiers & Physical Properties
| CAS No. | 70974-27-5 |
|---|---|
| Molecular formula | C7H5ClN4S |
| Average molar mass | 212.66 g/mol |
| Monoisotopic mass | 211.99234484 g/mol |
| SMILES | Clc1ccccc1Nc1nnns1 |
| InChIKey | QYAMUHDLDMHXMB-UHFFFAOYSA-N |
| PubChem CID | 12904014 |
| DTXSID | DTXSID901247707 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 78.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 171 |