Base information
| Cat. No. | |
| CAS No. | 54029-45-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H5N3O2S |
| Molecular Weight | 195.198 |
| Exact Mass | 195.01 |
| XLogP3 | 2.85458 |
| Mr | 51.1384 |
| PSA | 120.93 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#CSc1ccc(c(c1)[N+](=O)[O-])N |
