Base information
| Cat. No. | |
| CAS No. | 111-17-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H10O4S |
| Molecular Weight | 178.206 |
| Exact Mass | 178.03 |
| XLogP3 | 0.669 |
| Mr | 42.0906 |
| PSA | 99.9 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 20 |
| Ring number | 0 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CCSCCC(=O)O |
