Base information
| Cat. No. | |
| CAS No. | 126651-85-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BrN3S |
| Molecular Weight | 256.122 |
| Exact Mass | 254.947 |
| XLogP3 | 2.8968 |
| Mr | 56.9084 |
| PSA | 76.56 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Brc1cccc(c1)c1[nH][nH]c(=S)n1 |