Base information
| Cat. No. | |
| CAS No. | 778-97-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H13N3O2S |
| Molecular Weight | 227.283 |
| Exact Mass | 227.073 |
| XLogP3 | 1.9287 |
| Mr | 59.0509 |
| PSA | 103.4 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 28 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1cnc(nc1N)SCC |
