CAS 913394-35-1

2-(Mercaptomethyl)benzeneacetic acid

Description:

2-(Mercaptomethyl)benzeneacetic acid, identified by its CAS number 913394-35-1, is an organic compound characterized by the presence of both a thiol group (-SH) and a carboxylic acid group (-COOH) attached to a benzene ring. This compound features a mercaptomethyl group, which contributes to its reactivity and potential applications in various chemical processes. The presence of the thiol group imparts unique properties, such as the ability to form disulfide bonds and participate in redox reactions. The carboxylic acid functionality allows for acidic behavior, enabling the compound to engage in acid-base reactions. Additionally, the aromatic nature of the benzene ring provides stability and influences the compound's solubility and interaction with other molecules. Overall, 2-(Mercaptomethyl)benzeneacetic acid is of interest in fields such as medicinal chemistry, materials science, and organic synthesis due to its multifunctional characteristics.

Formula: C₉H₁₀O₂S

InChI: InChI=1S/C9H10O2S/c10-9(11)5-7-3-1-2-4-8(7)6-12/h1-4,12H,5-6H2,(H,10,11)

InChI key: InChIKey=IIXXGGLRLXQIID-UHFFFAOYSA-N

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

Synonyms:

• Benzeneacetic acid, 2-(mercaptomethyl)-
• 2-(Mercaptomethyl)benzeneacetic acid
• 2-[2-(Sulfanylmethyl)phenyl]acetic acid

2-[2-(Sulfanylmethyl)phenyl]acetic acid

CAS: 913394-35-1

Versatile small molecule scaffold

Formula: C₉H₁₀O₂S

Purity: Min. 95%

Molecular weight: 182.24 g/mol

Ref: 3D-NLB39435