Base information
| Cat. No. | |
| CAS No. | 116539-55-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H13NOS |
| Molecular Weight | 171.26 |
| Exact Mass | 171.072 |
| XLogP3 | 1.7819 |
| Mr | 47.6695 |
| PSA | 60.5 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CNCC[C@@H](c1cccs1)O |
