methyl 2-(5-tert-butyl-2H-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoropropanoate
Chemical Structure Depiction of
methyl 2-(5-tert-butyl-2H-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoropropanoate
methyl 2-(5-tert-butyl-2H-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoropropanoate
Compound characteristics
| Compound ID: | 4157-3462 |
| Compound Name: | methyl 2-(5-tert-butyl-2H-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoropropanoate |
| Molecular Weight: | 332.34 |
| Molecular Formula: | C15 H15 F3 O3 S |
| Smiles: | CC(C)(C)c1ccc2c(c1)SC(=C(/C(=O)OC)C(F)(F)F)\O2 |
| Stereo: | ACHIRAL |
| logP: | 4.9635 |
| logD: | 4.9635 |
| logSw: | -4.8704 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.2907 |
| InChI Key: | LZCMVWMVDAPPAT-UHFFFAOYSA-N |