4-methyl-2-oxo-7-(propan-2-yl)-2H-1,3-benzoxathiol-5-yl benzenesulfonate
Chemical Structure Depiction of
4-methyl-2-oxo-7-(propan-2-yl)-2H-1,3-benzoxathiol-5-yl benzenesulfonate
4-methyl-2-oxo-7-(propan-2-yl)-2H-1,3-benzoxathiol-5-yl benzenesulfonate
Compound characteristics
| Compound ID: | 8002-8634 |
| Compound Name: | 4-methyl-2-oxo-7-(propan-2-yl)-2H-1,3-benzoxathiol-5-yl benzenesulfonate |
| Molecular Weight: | 364.44 |
| Molecular Formula: | C17 H16 O5 S2 |
| Smiles: | CC(C)c1cc(c(C)c2c1OC(=O)S2)OS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7722 |
| logD: | 3.7722 |
| logSw: | -3.9866 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.843 |
| InChI Key: | CKZMPAGEHWJTBY-UHFFFAOYSA-N |