Base information
| Cat. No. | |
| CAS No. | 72955-90-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9NOS |
| Molecular Weight | 179.239 |
| Exact Mass | 179.04 |
| XLogP3 | 2.31088 |
| Mr | 49.211 |
| PSA | 58.32 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#CCOc1ccccc1SC |
