methyl 3,3,3-trifluoro-2-(5-methyl-2H-1,3-benzoxathiol-2-ylidene)propanoate
Chemical Structure Depiction of
methyl 3,3,3-trifluoro-2-(5-methyl-2H-1,3-benzoxathiol-2-ylidene)propanoate
methyl 3,3,3-trifluoro-2-(5-methyl-2H-1,3-benzoxathiol-2-ylidene)propanoate
Compound characteristics
Compound ID: | 8012-6412 |
Compound Name: | methyl 3,3,3-trifluoro-2-(5-methyl-2H-1,3-benzoxathiol-2-ylidene)propanoate |
Molecular Weight: | 290.26 |
Molecular Formula: | C12 H9 F3 O3 S |
Smiles: | Cc1ccc2c(c1)SC(=C(/C(=O)OC)C(F)(F)F)\O2 |
Stereo: | ACHIRAL |
logP: | 3.6952 |
logD: | 3.6952 |
logSw: | -4.0375 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 31.2907 |
InChI Key: | OVTHURJGJPIRKW-UHFFFAOYSA-N |