Base information
| Cat. No. | |
| CAS No. | 329205-68-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H8N2S |
| Molecular Weight | 200.26 |
| Exact Mass | 200.041 |
| XLogP3 | 2.2463 |
| Mr | 57.297 |
| PSA | 54.02 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cc1scc(n1)C#Cc1cccnc1 |
