Base information
| Cat. No. | |
| CAS No. | 79277-18-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H5NO5S2 |
| Molecular Weight | 247.248 |
| Exact Mass | 246.961 |
| XLogP3 | 1.64 |
| Mr | 50.95 |
| PSA | 126.49 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1sccc1S(=O)(=O)N=C=O |
