Base information
| Cat. No. | |
| CAS No. | 42729-95-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H12O4S |
| Molecular Weight | 168.211 |
| Exact Mass | 168.046 |
| XLogP3 | 0.8159 |
| Mr | 37.3598 |
| PSA | 71.98 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 21 |
| Ring number | 0 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OCCCCOS(=O)(=O)C |
