Base information
| Cat. No. | |
| CAS No. | 28004-60-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7N3O2S |
| Molecular Weight | 221.236 |
| Exact Mass | 221.026 |
| XLogP3 | 2.0972 |
| Mr | 55.8124 |
| PSA | 98.5 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 24 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Nc1nnc(s1)c1ccc2c(c1)OCO2 |
