Base information
| Cat. No. | |
| CAS No. | 3529-87-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H9NOS |
| Molecular Weight | 227.282 |
| Exact Mass | 227.04 |
| XLogP3 | 4.2132 |
| Mr | 67.644 |
| PSA | 53.68 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 26 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | S=C=Nc1ccc(cc1)Oc1ccccc1 |
