Base information
| Cat. No. | |
| CAS No. | 857970-06-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H4BrN3S |
| Molecular Weight | 230.085 |
| Exact Mass | 228.931 |
| XLogP3 | 2.6172 |
| Mr | 49.5194 |
| PSA | 80.04 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 16 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1cnc2c(c1)sc(n2)N |
