HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Benzyl-5-chloro-1,2,4-thiadiazole
Identifiers & Physical Properties
| Molecular formula | C9H7ClN2S |
|---|---|
| Average molar mass | 210.68 g/mol |
| SMILES | Clc1nc(Cc2ccccc2)ns1 |
| InChIKey | PUGFKQSEHPLELH-UHFFFAOYSA-N |
| PubChem CID | 14763521 |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 54 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 162 |