Base information
| Cat. No. | |
| CAS No. | 773888-45-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H19N3O2S |
| Molecular Weight | 281.374 |
| Exact Mass | 281.12 |
| XLogP3 | 1.5101 |
| Mr | 83.1541 |
| PSA | 95.53 |
| Sequence | - |
| Atom number | 38 |
| Bond number | 39 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | C#CCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 |
