4-methyl-9-oxo-9H-thioxanthen-2-yl propanoate
Chemical Structure Depiction of
4-methyl-9-oxo-9H-thioxanthen-2-yl propanoate
4-methyl-9-oxo-9H-thioxanthen-2-yl propanoate
Compound characteristics
| Compound ID: | 8002-8000 |
| Compound Name: | 4-methyl-9-oxo-9H-thioxanthen-2-yl propanoate |
| Molecular Weight: | 298.36 |
| Molecular Formula: | C17 H14 O3 S |
| Smiles: | CCC(=O)Oc1cc(C)c2c(c1)C(c1ccccc1S2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2837 |
| logD: | 4.2837 |
| logSw: | -4.425 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 33.088 |
| InChI Key: | PXENSZUZNZTEFD-UHFFFAOYSA-N |