Base information
| Cat. No. | |
| CAS No. | 21681-88-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9NS |
| Molecular Weight | 163.239 |
| Exact Mass | 163.046 |
| XLogP3 | 2.61068 |
| Mr | 47.685 |
| PSA | 49.09 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#CCSc1ccc(cc1)C |
