Base information
| Cat. No. | |
| CAS No. | 21327-14-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7BrN2S |
| Molecular Weight | 231.113 |
| Exact Mass | 229.951 |
| XLogP3 | 2.8779 |
| Mr | 53.9461 |
| PSA | 70.14 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | NC(=S)Nc1cccc(c1)Br |
