7-{4-[(difluoromethyl)sulfanyl]phenyl}-5-hydroxy-2H-1,3-benzoxathiol-2-one
Chemical Structure Depiction of
7-{4-[(difluoromethyl)sulfanyl]phenyl}-5-hydroxy-2H-1,3-benzoxathiol-2-one
7-{4-[(difluoromethyl)sulfanyl]phenyl}-5-hydroxy-2H-1,3-benzoxathiol-2-one
Compound characteristics
| Compound ID: | 8013-1119 |
| Compound Name: | 7-{4-[(difluoromethyl)sulfanyl]phenyl}-5-hydroxy-2H-1,3-benzoxathiol-2-one |
| Molecular Weight: | 326.34 |
| Molecular Formula: | C14 H8 F2 O3 S2 |
| Smiles: | c1cc(ccc1c1cc(cc2c1OC(=O)S2)O)SC(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.3613 |
| logD: | 4.3571 |
| logSw: | -4.4624 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.34 |
| InChI Key: | QHQKHUSTTVWBQF-UHFFFAOYSA-N |