CAS 793727-60-3

2-[[2-[(1-Methylethyl)amino]-2-oxoethyl]thio]benzoic acid

Description:

2-[[2-[(1-Methylethyl)amino]-2-oxoethyl]thio]benzoic acid, with the CAS number 793727-60-3, is a chemical compound that features a benzoic acid moiety substituted with a thioether and an amino group. This compound is characterized by its complex structure, which includes a thioether linkage that contributes to its reactivity and potential biological activity. The presence of the amino group suggests that it may engage in hydrogen bonding and participate in various chemical reactions, making it of interest in medicinal chemistry. Additionally, the compound's carboxylic acid functional group can influence its solubility and acidity, impacting its behavior in biological systems. Its specific applications may vary, but compounds with similar structures are often explored for their potential therapeutic properties, including anti-inflammatory or antimicrobial activities. As with many chemical substances, safety and handling precautions are essential due to potential toxicity or reactivity.

Formula: C₁₂H₁₅NO₃S

InChI: InChI=1S/C12H15NO3S/c1-8(2)13-11(14)7-17-10-6-4-3-5-9(10)12(15)16/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)

InChI key: InChIKey=AUFOOQXJWXGQLB-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 2-[[2-[(1-methylethyl)amino]-2-oxoethyl]thio]-
• 2-[[2-[(1-Methylethyl)amino]-2-oxoethyl]thio]benzoic acid

2-({[(Propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid

CAS: 793727-60-3

Versatile small molecule scaffold

Formula: C₁₂H₁₅NO₃S

Purity: Min. 95%

Molecular weight: 253.32 g/mol

Ref: 3D-TGB72760