Base information
| Cat. No. | |
| CAS No. | 2646-31-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8BrN3S |
| Molecular Weight | 246.128 |
| Exact Mass | 244.962 |
| XLogP3 | 2.7734 |
| Mr | 56.7478 |
| PSA | 82.17 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | NNC(=S)Nc1ccc(cc1)Br |
