Base information
| Cat. No. | |
| CAS No. | 2160-38-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C4HBrN2O4S |
| Molecular Weight | 253.031 |
| Exact Mass | 251.884 |
| XLogP3 | 3.3734 |
| Mr | 49.663 |
| PSA | 119.88 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 13 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | [O-][N+](=O)c1sc(c(c1)[N+](=O)[O-])Br |
