CAS 100059-52-7
:4,5-Diethoxy-2-mercaptobenzoic acid
Description:
4,5-Diethoxy-2-mercaptobenzoic acid is an organic compound characterized by the presence of both ethoxy groups and a thiol functional group attached to a benzoic acid framework. This compound features a benzene ring substituted at the 2-position with a mercapto (-SH) group and at the 4 and 5 positions with ethoxy (-OCH2CH3) groups. The presence of the mercapto group imparts unique reactivity, allowing for potential applications in coordination chemistry and as a ligand in metal complexation. The ethoxy groups enhance the solubility of the compound in organic solvents and may influence its biological activity. Additionally, the carboxylic acid functional group (-COOH) contributes to its acidity and potential for forming salts or esters. Overall, 4,5-Diethoxy-2-mercaptobenzoic acid is of interest in various fields, including medicinal chemistry and materials science, due to its structural features and reactivity. Its CAS number, 100059-52-7, allows for easy identification and reference in chemical databases.
Formula:C11H14O4S
InChI:InChI=1S/C11H14O4S/c1-3-14-8-5-7(11(12)13)10(16)6-9(8)15-4-2/h5-6,16H,3-4H2,1-2H3,(H,12,13)
InChI key:InChIKey=GYQXMBQMWUBFJR-UHFFFAOYSA-N
SMILES:O(CC)C1=C(OCC)C=C(S)C(C(O)=O)=C1
Synonyms:- 4,5-Diethoxy-2-mercaptobenzoic acid
- Benzoic acid, 4,5-diethoxy-2-mercapto-
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