Cas no 138485-81-1 (3-[4-(methylsulfanyl)phenyl]propanoic acid)

3-[4-(methylsulfanyl)phenyl]propanoic acid is a sulfur-containing aromatic carboxylic acid with applications in organic synthesis and pharmaceutical intermediates. Its structure features a methylsulfanyl group attached to a phenyl ring, which is further linked to a propanoic acid moiety, offering versatility in chemical modifications. The compound is valued for its role as a building block in medicinal chemistry, particularly in the development of bioactive molecules. Its moderate lipophilicity and stable aromatic system make it suitable for coupling reactions and derivatization. The methylsulfanyl group can serve as a precursor for further functionalization, enhancing its utility in synthetic pathways. This compound is typically handled under standard laboratory conditions with appropriate safety measures.
3-[4-(methylsulfanyl)phenyl]propanoic acid structure
138485-81-1 structure
Product Name:3-[4-(methylsulfanyl)phenyl]propanoic acid
CAS No:138485-81-1
MF:C10H12O2S
MW:196.266081809998
MDL:MFCD03425696
CID:98356
PubChem ID:3801098
Update Time:2025-06-26

3-[4-(methylsulfanyl)phenyl]propanoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanoicacid, 4-(methylthio)-
    • 3-[4-(Methylthio)phenyl]propionic acid
    • 4-(methylthio)Benzenepropanoic acid
    • 3-(4-(methylmercapto)phenyl)propionic acid
    • 3-(4-(methylthio)phenyl)propanoic acid
    • 3-(4-(methylthio)-phenyl)-propanoic acid
    • 3-(4-Methylmercapto-phenyl)-propionsaeure
    • 3-(4-methylsulfanyl-phenyl)-propionic acid
    • 3-(4-methylthiophenyl)propionic acid
    • 3-[4-(methylsulfanyl)phenyl]propanoic acid
    • 3-[4-(Methylthio)phenyl]propanoic acid
    • 4-(methylthio)
    • 656135_ALDRICH
    • AC1MWLDA
    • ACMC-20ex3q
    • SureCN46690
    • 3-(4-methylsulfanylphenyl)propanoic Acid
    • EN300-223563
    • MFCD03425696
    • 3-(4-(methylthio)phenyl)propanoicacid
    • Benzenepropanoicacid,4-(methylthio)-
    • Benzenepropanoic acid, 4-(methylthio)-
    • FT-0676578
    • 3-(4-Methylsulfanylphenyl)propionic acid
    • SCHEMBL46690
    • F9995-0952
    • AS-76523
    • 138485-81-1
    • ASTVFRXZLBGVRL-UHFFFAOYSA-N
    • AKOS009274605
    • DTXSID00396617
    • 3-(4-Methylthiophenyl)propionic acid, 97%
    • Z363916360
    • J-007138
    • DA-22148
    • G78600
    • MDL: MFCD03425696
    • Inchi: 1S/C10H12O2S/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)
    • InChI Key: ASTVFRXZLBGVRL-UHFFFAOYSA-N
    • SMILES: S(C)C1C=CC(=CC=1)CCC(=O)O

Computed Properties

  • Exact Mass: 196.05586
  • Monoisotopic Mass: 196.056
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 162
  • 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: 2
  • Topological Polar Surface Area: 62.6A^2

Experimental Properties

  • Density: 1.19
  • Melting Point: 98-102?°C(lit.)
  • Boiling Point: 348.7 °C at 760 mmHg
  • Flash Point: 164.7 °C
  • Refractive Index: 1.583
  • PSA: 37.3

3-[4-(methylsulfanyl)phenyl]propanoic acid Security Information

  • WGK Germany:3
  • Hazard Category Code: 41
  • Safety Instruction: 26-36/37/39
  • Hazardous Material Identification: Xi
  • Risk Phrases:R41
  • Safety Term:S26-36/37/39
  • HazardClass:IRRITANT

3-[4-(methylsulfanyl)phenyl]propanoic acid Pricemore >>

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Additional information on 3-[4-(methylsulfanyl)phenyl]propanoic acid

3-[4-(Methylsulfanyl)phenyl]propanoic Acid: A Comprehensive Overview

3-[4-(Methylsulfanyl)phenyl]propanoic acid (CAS No. 138485-81-1) is a compound of significant interest in the fields of organic chemistry and materials science. This compound, also referred to as methylsulfanyl phenyl propanoic acid, is characterized by its unique structure, which combines a methylsulfanyl group attached to a phenyl ring and a propanoic acid moiety. The methylsulfanyl phenyl group imparts distinctive electronic and steric properties, making this compound versatile for various applications.

The synthesis of 3-[4-(methylsulfanyl)phenyl]propanoic acid involves multi-step organic reactions, often utilizing coupling agents and protecting groups to achieve high purity. Recent advancements in catalytic methods have enabled more efficient syntheses, reducing production costs and environmental impact. The compound's structure allows for functionalization at multiple sites, facilitating its use in drug design, agrochemical development, and advanced materials.

One of the most promising applications of 3-[4-(methylsulfanyl)phenyl]propanoic acid is in the pharmaceutical industry. Researchers have explored its potential as a lead compound for developing new drugs targeting various diseases, including cancer and neurodegenerative disorders. The methylsulfanyl group has been shown to enhance bioavailability and stability, making it an attractive scaffold for medicinal chemists.

In the realm of materials science, 3-[4-(methylsulfanyl)phenyl]propanoic acid has been utilized as a building block for self-healing polymers. Its ability to form reversible bonds under specific conditions makes it ideal for creating adaptive materials that can repair themselves upon damage. Recent studies have demonstrated its effectiveness in enhancing the mechanical properties of polymeric systems while maintaining flexibility.

The electronic properties of 3-[4-(methylsulfanyl)phenyl]propanoic acid also make it a candidate for optoelectronic devices. Its conjugated system enables efficient charge transport, which is crucial for applications in organic light-emitting diodes (OLEDs) and photovoltaics. Researchers are actively investigating its potential to improve device efficiency and stability under operational conditions.

From an environmental perspective, 3-[4-(methylsulfanyl)phenyl]propanoic acid has shown promise in biodegradable polymer synthesis. Its incorporation into bioplastics enhances their mechanical strength without compromising their ability to decompose naturally. This aligns with global efforts to reduce plastic waste and promote sustainable materials.

In conclusion, 3-[4-(methylsulfanyl)phenyl]propanoic acid (CAS No. 138485-81-1) is a multifaceted compound with diverse applications across multiple disciplines. Its unique structure, coupled with recent advancements in synthesis and application techniques, positions it as a key player in future innovations. As research continues to uncover its full potential, this compound is poised to make significant contributions to science and technology.

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