CAS 15310-87-9

2-[(2,5-Dimethylphenyl)thio]acetic acid

Description:

2-[(2,5-Dimethylphenyl)thio]acetic acid, with the CAS number 15310-87-9, is an organic compound characterized by the presence of a thioether functional group and a carboxylic acid. This compound features a 2,5-dimethylphenyl group attached to a sulfur atom, which is further linked to an acetic acid moiety. The presence of the thioether group imparts unique chemical properties, such as potential reactivity in nucleophilic substitution reactions. The carboxylic acid functional group contributes to its acidity and solubility in polar solvents. This compound may exhibit biological activity, making it of interest in pharmaceutical and agrochemical research. Its structural features suggest potential applications in synthesis and as a building block for more complex molecules. Additionally, the presence of methyl groups on the aromatic ring can influence its steric and electronic properties, affecting its reactivity and interactions with other chemical species. Overall, 2-[(2,5-Dimethylphenyl)thio]acetic acid is a versatile compound with potential utility in various chemical contexts.

Formula: C₁₀H₁₂O₂S

InChI: InChI=1S/C10H12O2S/c1-7-3-4-8(2)9(5-7)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)

InChI key: InChIKey=PTOYIPIESDHKSH-UHFFFAOYSA-N

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

Synonyms:

• Acetic acid, (2,5-xylylthio)-
• Acetic acid, [(2,5-dimethylphenyl)thio]-
• Acetic acid, 2-[(2,5-dimethylphenyl)thio]-
• 2-[(2,5-Dimethylphenyl)thio]acetic acid
• (2,5-Xylylthio)acetic acid

2-[(2,5-Dimethylphenyl)sulfanyl]acetic acid

CAS: 15310-87-9

Versatile small molecule scaffold

Formula: C₁₀H₁₂O₂S

Purity: Min. 95%

Molecular weight: 196.27 g/mol

Ref: 3D-QAA31087