Base information
| Cat. No. | |
| CAS No. | 251572-86-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H22N2O5S |
| Molecular Weight | 318.389 |
| Exact Mass | 318.125 |
| XLogP3 | 1.2427 |
| Mr | 84.984 |
| PSA | 146.23 |
| Sequence | - |
| Atom number | 43 |
| Bond number | 42 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | OC(=O)/C=C/C(=O)O.CC[C@@H]([C@@H](C(=O)N1CSCC1)N)C |
