Base information
| Cat. No. | |
| CAS No. | 850429-60-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H5BrN2O2S |
| Molecular Weight | 237.074 |
| Exact Mass | 235.926 |
| XLogP3 | 1.8556 |
| Mr | 45.4979 |
| PSA | 93.45 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1nc(sc1Br)N |
