Cas no 294674-97-8 (Benzaldehyde,2-mercapto-4-methyl-)

Benzaldehyde,2-mercapto-4-methyl- is a specialized aromatic compound featuring both aldehyde and thiol functional groups, making it a versatile intermediate in organic synthesis. Its molecular structure, combining a benzaldehyde core with a methyl-substituted thiol group, enables applications in pharmaceuticals, agrochemicals, and flavor/fragrance industries. The presence of the thiol moiety allows for selective reactivity in nucleophilic additions and metal coordination, while the aldehyde group facilitates condensation and oxidation reactions. This compound is particularly valued for its role in synthesizing heterocyclic compounds and as a building block for sulfur-containing derivatives. Proper handling is required due to its potential sensitivity to oxidation and reactivity.
Benzaldehyde,2-mercapto-4-methyl- structure
294674-97-8 structure
Product Name:Benzaldehyde,2-mercapto-4-methyl-
CAS No:294674-97-8
MF:C8H8OS
MW:152.213521003723
CID:249168
PubChem ID:11469171
Update Time:2025-11-06

Benzaldehyde,2-mercapto-4-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde,2-mercapto-4-methyl-
    • 2-Mercapto-4-methylbenzaldehyde
    • 4-methyl-2-sulfanylbenzaldehyde
    • 294674-97-8
    • SCHEMBL1864680
    • EN300-673796
    • DTXSID90466797
    • Inchi: 1S/C8H8OS/c1-6-2-3-7(5-9)8(10)4-6/h2-5,10H,1H3
    • InChI Key: IOBQGBDPPIJYTD-UHFFFAOYSA-N
    • SMILES: SC1C=C(C)C=CC=1C=O

Computed Properties

  • Exact Mass: 152.02964
  • Monoisotopic Mass: 152.02958605g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 124
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 18.1?2

Experimental Properties

  • PSA: 17.07

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Additional information on Benzaldehyde,2-mercapto-4-methyl-

Benzaldehyde, 2-Mercapto-4-Methyl: A Comprehensive Overview

Benzaldehyde, 2-Mercapto-4-Methyl, also known by its CAS number 294674-97-8, is a compound of significant interest in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which combines a benzaldehyde group with a mercapto and methyl substituent. The presence of these functional groups imparts distinctive chemical properties, making it a valuable molecule for various applications.

The structure of Benzaldehyde, 2-Mercapto-4-Methyl consists of a benzene ring with a carbonyl group (benzaldehyde) at the para position relative to a methyl group and a mercapto (-SH) group at the ortho position. This arrangement creates a molecule with both electron-withdrawing and electron-donating groups, leading to interesting electronic and reactivity characteristics. Recent studies have highlighted the potential of this compound in catalytic applications due to its ability to stabilize metal nanoparticles through sulfur-based interactions.

One of the most notable aspects of Benzaldehyde, 2-Mercapto-4-Methyl is its role in the synthesis of advanced materials. Researchers have explored its use as a precursor for metal-organic frameworks (MOFs) and coordination polymers. For instance, the compound's mercapto group can act as a ligand, enabling the formation of stable metal-sulfur bonds. This property has been leveraged in the development of new catalysts for industrial processes such as hydrogenation and oxidation reactions.

In addition to its role in materials science, Benzaldehyde, 2-Mercapto-4-Methyl has shown promise in biological applications. Recent studies have demonstrated its potential as an antioxidant agent due to the redox activity of the mercapto group. This capability makes it a candidate for use in pharmaceuticals and nutraceuticals, where antioxidant properties are highly valued. Furthermore, the compound's ability to interact with biological molecules has led to investigations into its potential as a drug delivery agent.

The synthesis of Benzaldehyde, 2-Mercapto-4-Methyl typically involves multi-step organic reactions. Common methods include nucleophilic substitution and condensation reactions, often requiring precise control over reaction conditions to achieve high yields. Recent advancements in catalytic methods have improved the efficiency of these syntheses, making the compound more accessible for large-scale applications.

From an environmental perspective, understanding the fate and transport of Benzaldehyde, 2-Mercapto-4-Methyl in natural systems is crucial. Studies have shown that the compound exhibits moderate biodegradability under aerobic conditions, suggesting that it can be effectively treated in wastewater systems. However, further research is needed to assess its long-term environmental impact and potential toxicity to aquatic organisms.

In conclusion, Benzaldehyde, 2-Mercapto-4-Methyl (CAS No: 294674-97-8) is a versatile compound with diverse applications across multiple disciplines. Its unique chemical structure and functional groups make it an attractive candidate for innovations in materials science, catalysis, and biotechnology. As research continues to uncover new properties and uses for this compound, its significance in both academic and industrial settings is expected to grow further.

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