Base information
| Cat. No. | |
| CAS No. | 446-86-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7N7O2S |
| Molecular Weight | 277.263 |
| Exact Mass | 277.038 |
| XLogP3 | 1.669 |
| Mr | 68.1177 |
| PSA | 143.4 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 28 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | Cn1cnc(c1Sc1ncnc2c1nc[nH]2)[N+](=O)[O-] |
