Base information
| Cat. No. | |
| CAS No. | 15292-69-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6OS |
| Molecular Weight | 126.176 |
| Exact Mass | 126.014 |
| XLogP3 | 0.8672 |
| Mr | 35.5575 |
| PSA | 36.28 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 13 |
| Ring number | 0 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | C#CCS(=O)CC#C |
