HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-((3-Methoxybenzyl)sulfanyl)-1,3,4-thiadiazol-2-amine
Identifiers & Physical Properties
| CAS No. | 110076-51-2 |
|---|---|
| Molecular formula | C10H11N3OS2 |
| Average molar mass | 253.3 g/mol |
| Monoisotopic mass | 253.03435433 g/mol |
| SMILES | COc1cccc(CSc2nnc(N)s2)c1 |
| InChIKey | PTUKTIIOSZCEMY-UHFFFAOYSA-N |
| PubChem CID | 3836613 |
| ChEMBL | CHEMBL367199 |
| DTXSID | DTXSID701192790 |
Chemical & Physical Properties
| XLogP | 2.3 |
|---|---|
| Topological polar surface area | 115 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 4 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 220 |