CAS 2007919-51-7

4-[1-[(2-Aminoethyl)dithio]ethyl]benzoic acid

Description:

4-[1-[(2-Aminoethyl)dithio]ethyl]benzoic acid, identified by its CAS number 2007919-51-7, is an organic compound characterized by its unique structure that includes a benzoic acid moiety and a dithioether functional group. This compound features a benzoic acid group, which contributes to its acidity and potential for forming salts or esters. The presence of the dithioether linkage, which consists of two sulfur atoms, imparts distinctive chemical properties, including increased reactivity and potential for forming coordination complexes with metals. The aminoethyl side chain enhances its solubility in polar solvents and may facilitate interactions with biological systems, making it of interest in medicinal chemistry and materials science. Additionally, the compound's structure suggests potential applications in drug development, particularly in targeting specific biological pathways or as a building block for more complex molecules. Overall, its unique combination of functional groups makes it a versatile compound in both synthetic and applied chemistry contexts.

Formula: C₁₁H₁₅NO₂S₂

InChI: InChI=1S/C11H15NO2S2/c1-8(16-15-7-6-12)9-2-4-10(5-3-9)11(13)14/h2-5,8H,6-7,12H2,1H3,(H,13,14)

InChI key: InChIKey=BWRZQAVBMRVZFM-UHFFFAOYSA-N

SMILES: C(SSCCN)(C)C1=CC=C(C(O)=O)C=C1

Synonyms:

• 4-[1-[(2-Aminoethyl)dithio]ethyl]benzoic acid
• Benzoic acid, 4-[1-[(2-aminoethyl)dithio]ethyl]-