Base information
| Cat. No. | |
| CAS No. | 121717-36-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9N3S |
| Molecular Weight | 227.285 |
| Exact Mass | 227.052 |
| XLogP3 | 3.5217 |
| Mr | 67.2554 |
| PSA | 80.04 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 27 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Nc1cccc(c1)c1nc2c(s1)nccc2 |
