Base information
| Cat. No. | |
| CAS No. | 1179336-09-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6N4O3S |
| Molecular Weight | 250.234 |
| Exact Mass | 250.016 |
| XLogP3 | 1.24096 |
| Mr | 59.4842 |
| PSA | 148.15 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 24 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | [N-]=[N+]=NCC(=O)c1ccc(c2c1sc(=O)[nH]2)O |
