9-[4-(methylsulfanyl)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
9-[4-(methylsulfanyl)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-[4-(methylsulfanyl)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 8011-8523 |
| Compound Name: | 9-[4-(methylsulfanyl)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 340.44 |
| Molecular Formula: | C20 H20 O3 S |
| Smiles: | CSc1ccc(cc1)C1C2=C(CCCC2=O)OC2CCCC(C1=2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6028 |
| logD: | 3.6028 |
| logSw: | -3.977 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 33.397 |
| InChI Key: | RQCBDWAZYPALQW-UHFFFAOYSA-N |