Base information
| Cat. No. | |
| CAS No. | 122813-72-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12BrN3S |
| Molecular Weight | 274.181 |
| Exact Mass | 272.994 |
| XLogP3 | 3.3902 |
| Mr | 66.6798 |
| PSA | 82.17 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | NNC(=S)Nc1c(C)cc(cc1C)Br |
