methyl 2-ethoxy-2-sulfanylidene-4-(trifluoromethyl)-2H,4H,7H-2lambda~5~-[1,3]dioxolo[4,5-g][1,3,2]benzodioxaphosphinine-4-carboxylate
Chemical Structure Depiction of
methyl 2-ethoxy-2-sulfanylidene-4-(trifluoromethyl)-2H,4H,7H-2lambda~5~-[1,3]dioxolo[4,5-g][1,3,2]benzodioxaphosphinine-4-carboxylate
methyl 2-ethoxy-2-sulfanylidene-4-(trifluoromethyl)-2H,4H,7H-2lambda~5~-[1,3]dioxolo[4,5-g][1,3,2]benzodioxaphosphinine-4-carboxylate
Compound characteristics
| Compound ID: | 4157-3395 |
| Compound Name: | methyl 2-ethoxy-2-sulfanylidene-4-(trifluoromethyl)-2H,4H,7H-2lambda~5~-[1,3]dioxolo[4,5-g][1,3,2]benzodioxaphosphinine-4-carboxylate |
| Molecular Weight: | 400.26 |
| Molecular Formula: | C13 H12 F3 O7 P S |
| Smiles: | CCOP1(Oc2cc3c(cc2C(C(=O)OC)(C(F)(F)F)O1)OCO3)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2428 |
| logD: | 4.2428 |
| logSw: | -4.5851 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.745 |
| InChI Key: | WHJLHYHSIZEIBZ-UHFFFAOYSA-N |