Base information
| Cat. No. | |
| CAS No. | 1233094-95-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6BrN3S |
| Molecular Weight | 244.112 |
| Exact Mass | 242.947 |
| XLogP3 | 2.2137 |
| Mr | 52.408 |
| PSA | 55.49 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CSc1ncc2n(n1)c(Br)cc2 |
