Base information
| Cat. No. | |
| CAS No. | 577771-09-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H3N3O2S |
| Molecular Weight | 181.172 |
| Exact Mass | 180.995 |
| XLogP3 | 0.7845 |
| Mr | 42.1693 |
| PSA | 104.21 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 16 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1cc2nnsc2nc1 |