Base information
| Cat. No. | |
| CAS No. | 28809-04-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H14N2O2S |
| Molecular Weight | 226.295 |
| Exact Mass | 226.078 |
| XLogP3 | 1.4695 |
| Mr | 60.5012 |
| PSA | 101.51 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 29 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | N[C@H](C(=O)O)CSCCc1ccncc1 |
