7-methyl-2-oxo-2H-1,3-benzoxathiol-5-yl benzenesulfonate
Chemical Structure Depiction of
7-methyl-2-oxo-2H-1,3-benzoxathiol-5-yl benzenesulfonate
7-methyl-2-oxo-2H-1,3-benzoxathiol-5-yl benzenesulfonate
Compound characteristics
| Compound ID: | 0217-0125 |
| Compound Name: | 7-methyl-2-oxo-2H-1,3-benzoxathiol-5-yl benzenesulfonate |
| Molecular Weight: | 322.36 |
| Molecular Formula: | C14 H10 O5 S2 |
| Smiles: | Cc1cc(cc2c1OC(=O)S2)OS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.308 |
| logD: | 3.308 |
| logSw: | -3.6891 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.756 |
| InChI Key: | OETZLRBDIIFQLA-UHFFFAOYSA-N |