Base information
| Cat. No. | |
| CAS No. | 13679-70-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6OS |
| Molecular Weight | 126.176 |
| Exact Mass | 126.014 |
| XLogP3 | 1.869 |
| Mr | 34.6725 |
| PSA | 45.31 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Cc1ccc(s1)C=O |
