Base information
| Cat. No. | |
| CAS No. | 72899-35-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H7NOS2 |
| Molecular Weight | 221.299 |
| Exact Mass | 220.997 |
| XLogP3 | 3.0756 |
| Mr | 58.7435 |
| PSA | 83.5 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=C(c1cscc1)Sc1ccccn1 |
