Base information
| Cat. No. | |
| CAS No. | 64542-91-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H11N5S |
| Molecular Weight | 257.314 |
| Exact Mass | 257.074 |
| XLogP3 | 2.8086 |
| Mr | 72.2961 |
| PSA | 105.78 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 31 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | Nc1nc(SCc2ccccc2)nc2c1nc[nH]2 |
