Base information
| Cat. No. | |
| CAS No. | 84611-23-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H11NO4S2 |
| Molecular Weight | 249.307 |
| Exact Mass | 249.013 |
| XLogP3 | 0.3434 |
| Mr | 58.6115 |
| PSA | 134.07 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | O=C(NC1CCSC1=O)CSCC(=O)O |
