CAS 71735-21-2

2-[(2,4-Dichloro-5-methylphenyl)thio]acetic acid

Description:

2-[(2,4-Dichloro-5-methylphenyl)thio]acetic acid, with the CAS number 71735-21-2, is an organic compound characterized by its thioether and carboxylic acid functional groups. This compound features a dichloromethylphenyl moiety, which contributes to its potential biological activity and lipophilicity. The presence of chlorine atoms enhances its reactivity and may influence its interaction with biological targets. The thioether linkage provides unique chemical properties, including potential for nucleophilic substitution reactions. As a carboxylic acid, it exhibits acidic behavior, allowing it to participate in various chemical reactions, such as esterification and amidation. The compound's structure suggests it may have applications in pharmaceuticals or agrochemicals, particularly in the development of herbicides or fungicides. Its solubility and stability in different solvents can vary, impacting its practical applications. Overall, 2-[(2,4-Dichloro-5-methylphenyl)thio]acetic acid is a compound of interest in both synthetic chemistry and potential therapeutic contexts.

Formula: C₉H₈Cl₂O₂S

InChI: InChI=1S/C9H8Cl2O2S/c1-5-2-8(14-4-9(12)13)7(11)3-6(5)10/h2-3H,4H2,1H3,(H,12,13)

InChI key: InChIKey=VPCNIUHVMZIJDP-UHFFFAOYSA-N

SMILES: S(CC(O)=O)C1=C(Cl)C=C(Cl)C(C)=C1

Synonyms:

• ((2,4-Dichloro-5-methylphenyl)thio)acetic acid
• 2-[(2,4-Dichloro-5-methylphenyl)sulfanyl]acetic acid
• 2-[(2,4-Dichloro-5-methylphenyl)thio]acetic acid
• Acetic acid, 2-[(2,4-dichloro-5-methylphenyl)thio]-
• Acetic acid, [(2,4-dichloro-5-methylphenyl)thio]-
• [(2,4-Dichloro-5-Methylphenyl)Sulfanyl]Acetic Acid
• (2,4-Dichloro-5-methylphenylthio)acetic acid