CAS 1428234-51-8
:2,6-Difluoro-3-(methylthio)benzoic acid
Description:
2,6-Difluoro-3-(methylthio)benzoic acid is an aromatic carboxylic acid characterized by the presence of two fluorine atoms and a methylthio group attached to a benzoic acid structure. The fluorine substituents are located at the 2 and 6 positions of the benzene ring, which can influence the compound's electronic properties and reactivity. The methylthio group, located at the 3 position, introduces a sulfur atom into the structure, which can enhance the compound's nucleophilicity and alter its solubility in various solvents. This compound is likely to exhibit moderate to high polarity due to the presence of the carboxylic acid functional group, which can participate in hydrogen bonding. Its unique combination of functional groups may impart specific biological activities or applications in pharmaceuticals or agrochemicals. Additionally, the presence of fluorine can enhance metabolic stability and lipophilicity, making it a candidate for further research in medicinal chemistry. Safety and handling precautions should be observed due to potential toxicity associated with fluorinated compounds.
Formula:C8H6F2O2S
InChI:InChI=1S/C8H6F2O2S/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3H,1H3,(H,11,12)
InChI key:InChIKey=CYFIPPYTMKMXGP-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(F)C(SC)=CC=C1F
Synonyms:- Benzoic acid, 2,6-difluoro-3-(methylthio)-
- 2,6-Difluoro-3-(methylthio)benzoic acid
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