Base information
| Cat. No. | |
| CAS No. | 744191-99-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H18N2O2S |
| Molecular Weight | 218.316 |
| Exact Mass | 218.109 |
| XLogP3 | 1.9575 |
| Mr | 61.2265 |
| PSA | 86.99 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 31 |
| Ring number | 0 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CC(NC(=NC(C)C)SCC(=O)O)C |
