Base information
| Cat. No. | |
| CAS No. | 136954-20-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H16O2S |
| Molecular Weight | 176.276 |
| Exact Mass | 176.087 |
| XLogP3 | 2.0381 |
| Mr | 49.784 |
| PSA | 65.1 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 26 |
| Ring number | 0 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCCC(CCOC(=O)C)S |
