Base information
| Cat. No. | |
| CAS No. | 339098-98-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H7NOS2 |
| Molecular Weight | 233.309 |
| Exact Mass | 232.997 |
| XLogP3 | 3.10668 |
| Mr | 61.5925 |
| PSA | 97.34 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#CCc1ccc(s1)C(=O)c1cccs1 |
