Cas no 62574-23-6 (2-Methyl-3-(methylthio)propanoic Acid)

2-Methyl-3-(methylthio)propanoic Acid is a versatile organic compound characterized by its distinct thioether functionality. It exhibits notable stability and is highly reactive, making it suitable for various synthetic applications. This compound is particularly valuable for its role in the synthesis of pharmaceuticals and agrochemicals, offering researchers a valuable tool for the development of novel compounds.
2-Methyl-3-(methylthio)propanoic Acid structure
62574-23-6 structure
Product Name:2-Methyl-3-(methylthio)propanoic Acid
CAS No:62574-23-6
MF:C5H10O2S
MW:134.196700572968
CID:1005798
PubChem ID:13694415
Update Time:2025-07-16

2-Methyl-3-(methylthio)propanoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-methyl-3-(methylsulfanyl)propanoic acid
    • 2-Methyl-3-(methylthio)propanoic Acid
    • 3-Methylthio-2-Methylpropanoic acid
    • Z732206684
    • 62574-23-6
    • AKOS008142994
    • DA-16992
    • 2-methyl-3-(methylthio)propanoicacid
    • G35566
    • CS-0259419
    • LJGHYEQLQGHZJS-UHFFFAOYSA-N
    • 2-methyl-3-methylsulfanyl-propionic acid
    • SCHEMBL162834
    • EN300-73277
    • 2-methyl-3-methylsulfanylpropanoic acid
    • MDL: MFCD12823558
    • Inchi: 1S/C5H10O2S/c1-4(3-8-2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
    • InChI Key: LJGHYEQLQGHZJS-UHFFFAOYSA-N
    • SMILES: S(C)CC(C(=O)O)C

Computed Properties

  • Exact Mass: 134.04015073g/mol
  • Monoisotopic Mass: 134.04015073g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 82.5
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.9
  • Topological Polar Surface Area: 62.6?2

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Additional information on 2-Methyl-3-(methylthio)propanoic Acid

Professional Introduction to 2-Methyl-3-(methylthio)propanoic Acid (CAS No. 62574-23-6)

2-Methyl-3-(methylthio)propanoic acid, identified by its Chemical Abstracts Service (CAS) number 62574-23-6, is a significant compound in the field of organic chemistry and pharmaceutical research. This compound, characterized by its unique structural features, has garnered attention due to its potential applications in synthetic chemistry and as an intermediate in the development of bioactive molecules.

The molecular structure of 2-methyl-3-(methylthio)propanoic acid consists of a propionic acid backbone with a methyl group at the second carbon and a methylthio (-SCH?) substituent at the third carbon. This configuration imparts distinct chemical properties, making it a valuable building block for more complex molecules. The presence of the methylthio group introduces sulfur into the molecule, which is often exploited in medicinal chemistry for its ability to modulate biological pathways.

In recent years, 2-methyl-3-(methylthio)propanoic acid has been explored in various research contexts, particularly in the synthesis of heterocyclic compounds. Heterocycles are essential scaffolds in drug design due to their prevalence in bioactive natural products and their ability to engage with biological targets in specific ways. The compound’s versatility allows chemists to introduce diverse functional groups while maintaining structural integrity, facilitating the development of novel therapeutic agents.

One of the most compelling aspects of 2-methyl-3-(methylthio)propanoic acid is its role as a precursor in the synthesis of sulfur-containing heterocycles, such as thiazoles and thiophenes. These heterocycles are known for their broad spectrum of biological activities, including antimicrobial, anti-inflammatory, and anticancer properties. Researchers have leveraged the reactivity of 2-methyl-3-(methylthio)propanoic acid to construct complex frameworks that mimic natural products with demonstrated pharmacological effects.

Recent advancements in synthetic methodologies have further highlighted the utility of 2-methyl-3-(methylthio)propanoic acid. For instance, transition metal-catalyzed cross-coupling reactions have enabled efficient functionalization at the sulfur and carbon positions, allowing for the rapid assembly of intricate molecular architectures. These techniques have been particularly valuable in medicinal chemistry, where rapid access to structurally diverse libraries is crucial for hit identification and optimization.

The pharmaceutical industry has shown interest in 2-methyl-3-(methylthio)propanoic acid due to its potential as a key intermediate in drug development. Its structural features make it amenable to modifications that can enhance drug-like properties such as solubility, bioavailability, and target specificity. By integrating this compound into synthetic routes, researchers aim to create molecules that exhibit improved efficacy and reduced toxicity compared to existing therapies.

Moreover, 2-methyl-3-(methylthio)propanoic acid has found applications beyond pharmaceuticals. In agrochemical research, derivatives of this compound have been investigated for their potential as pesticides or herbicides. The sulfur-containing moiety contributes to pesticidal activity by interfering with essential metabolic pathways in pests, offering a promising avenue for developing environmentally friendly crop protection agents.

The chemical reactivity of 2-methyl-3-(methylthio)propanoic acid also makes it a useful tool in material science. Researchers have explored its use in polymer synthesis, where sulfur-based linkages can enhance material properties such as flexibility and thermal stability. These advancements underscore the compound’s broad utility across multiple scientific disciplines.

In conclusion, 2-methyl-3-(methylthio)propanoic acid (CAS No. 62574-23-6) represents a versatile and valuable compound with significant implications for synthetic chemistry and drug discovery. Its unique structural features and reactivity profile continue to inspire innovative research endeavors aimed at developing new therapeutics and materials. As scientific understanding progresses, it is likely that this compound will play an even greater role in advancing chemical biology and industrial applications.

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