HuagongsheHuagongshe Chemistry Print Report · For research reference only
{[5-(2-{5-[(cyanomethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
{[5-(2-{5-[(cyanomethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
![{[5-(2-{5-[(cyanomethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile molecular structure](/img/chemical/178819870.png)
Identifiers & Physical Properties
| CAS No. | 354131-85-4 |
|---|---|
| Molecular formula | C10H10N8S2 |
| Average molar mass | 306.4 g/mol |
| SMILES | N#CCSc1nnc(CCc2nnc(SCC#N)[nH]2)[nH]1 |
| InChIKey | OLCVPBOXHYLMGV-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 181 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 7 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 363 |