Base information
| Cat. No. | |
| CAS No. | 138564-59-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9N3O2S |
| Molecular Weight | 259.284 |
| Exact Mass | 259.042 |
| XLogP3 | 4.17618 |
| Mr | 72.3657 |
| PSA | 109.88 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 28 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc(sc1Nc1ccccc1[N+](=O)[O-])C |
