methyl 2-(5,7-dimethyl-2H-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoropropanoate
Chemical Structure Depiction of
methyl 2-(5,7-dimethyl-2H-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoropropanoate
methyl 2-(5,7-dimethyl-2H-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoropropanoate
Compound characteristics
| Compound ID: | 4157-2765 |
| Compound Name: | methyl 2-(5,7-dimethyl-2H-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoropropanoate |
| Molecular Weight: | 304.29 |
| Molecular Formula: | C13 H11 F3 O3 S |
| Smiles: | Cc1cc(C)c2c(c1)SC(=C(/C(=O)OC)C(F)(F)F)\O2 |
| Stereo: | ACHIRAL |
| logP: | 4.3497 |
| logD: | 4.3497 |
| logSw: | -4.4011 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.975 |
| InChI Key: | DHXLTOMAUJNWCT-UHFFFAOYSA-N |