Base information
| Cat. No. | |
| CAS No. | 100981-05-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12O4S2 |
| Molecular Weight | 248.319 |
| Exact Mass | 248.018 |
| XLogP3 | 1.7601 |
| Mr | 60.579 |
| PSA | 103.2 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CSC(=C1C(=O)OC(OC1=O)(C)C)SC |
