Base information
| Cat. No. | |
| CAS No. | 2114407-78-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H14O3S2 |
| Molecular Weight | 222.325 |
| Exact Mass | 222.038 |
| XLogP3 | 2.6663 |
| Mr | 56.0963 |
| PSA | 98.88 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CCCCC1CC[S@@](=O)S1 |
