Base information
| Cat. No. | |
| CAS No. | 681470-32-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9N3O2S |
| Molecular Weight | 223.252 |
| Exact Mass | 223.042 |
| XLogP3 | 3.2325 |
| Mr | 62.5547 |
| PSA | 98.98 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 25 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCNc1nc2c(s1)ccc(c2)[N+](=O)[O-] |
