Base information
| Cat. No. | |
| CAS No. | 163449-72-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5BrOS |
| Molecular Weight | 229.094 |
| Exact Mass | 227.924 |
| XLogP3 | 2.7375 |
| Mr | 49.1365 |
| PSA | 42.37 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1ccc2c(c1)C(=O)CS2 |