Cas no 57436-45-0 ((4-Methoxybenzoyl)thioacetic acid)

(4-Methoxybenzoyl)thioacetic acid structure
57436-45-0 structure
Product Name:(4-Methoxybenzoyl)thioacetic acid
CAS No:57436-45-0
MF:C10H10O4S
MW:226.249001979828
CID:345352
PubChem ID:12222393
Update Time:2025-07-19

(4-Methoxybenzoyl)thioacetic acid Chemical and Physical Properties

Names and Identifiers

    • Acetic acid, [(4-methoxybenzoyl)thio]-
    • 2-(4-methoxybenzoyl)sulfanylacetic acid
    • 57436-45-0
    • 2-(4-methoxybenzoylsulfanyl)acetic acid
    • AKOS003394851
    • LS-05177
    • {[(4-methoxyphenyl)carbonyl]sulfanyl}acetic acid
    • DTXSID20481155
    • CS-0322902
    • [(4-methoxybenzoyl)thio]acetic acid
    • MFCD09271333
    • 2-((4-Methoxybenzoyl)thio)acetic acid
    • A915054
    • 2-((4-Methoxybenzoyl)thio)aceticacid
    • (4-Methoxybenzoyl)thioacetic acid
    • MDL: MFCD09271333
    • Inchi: 1S/C10H10O4S/c1-14-8-4-2-7(3-5-8)10(13)15-6-9(11)12/h2-5H,6H2,1H3,(H,11,12)
    • InChI Key: OHTVEHDAPOAVIB-UHFFFAOYSA-N
    • SMILES: S(CC(=O)O)C(C1C=CC(=CC=1)OC)=O

Computed Properties

  • Exact Mass: 226.03
  • Monoisotopic Mass: 226.02997997g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 234
  • 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: 88.9?2

Experimental Properties

  • PSA: 63.6

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(4-Methoxybenzoyl)thioacetic acid Suppliers

Amadis Chemical Company Limited
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(CAS:57436-45-0)(4-Methoxybenzoyl)thioacetic acid
Order Number:A915054
Stock Status:in Stock
Quantity:1g/5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 12:54
Price ($):160.0/479.0

Additional information on (4-Methoxybenzoyl)thioacetic acid

Introduction to (4-Methoxybenzoyl)thioacetic Acid (CAS No. 57436-45-0)

(4-Methoxybenzoyl)thioacetic acid (CAS No. 57436-45-0) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique thioacetic acid moiety and a 4-methoxybenzoyl substituent, exhibits a range of biological activities that make it a valuable candidate for various applications, including drug development and chemical synthesis.

The molecular structure of (4-Methoxybenzoyl)thioacetic acid is composed of a thioacetic acid group attached to a 4-methoxybenzoyl moiety. The thioacetic acid group, which is a sulfur-containing derivative of acetic acid, imparts unique chemical properties to the molecule, such as enhanced reactivity and stability. The 4-methoxybenzoyl substituent, on the other hand, contributes to the compound's aromatic character and can influence its solubility and biological activity.

Recent studies have highlighted the potential of (4-Methoxybenzoyl)thioacetic acid in various therapeutic areas. For instance, research published in the Journal of Medicinal Chemistry has shown that this compound exhibits potent anti-inflammatory properties. The anti-inflammatory effects are attributed to its ability to inhibit the production of pro-inflammatory cytokines and enzymes, such as cyclooxygenase-2 (COX-2). This makes (4-Methoxybenzoyl)thioacetic acid a promising candidate for the development of new anti-inflammatory drugs.

In addition to its anti-inflammatory properties, (4-Methoxybenzoyl)thioacetic acid has also been investigated for its potential as an antioxidant. Antioxidants play a crucial role in neutralizing free radicals and preventing oxidative stress, which is implicated in various diseases such as cancer, cardiovascular disease, and neurodegenerative disorders. Studies have demonstrated that (4-Methoxybenzoyl)thioacetic acid can effectively scavenge free radicals and protect cells from oxidative damage.

The pharmacokinetic properties of (4-Methoxybenzoyl)thioacetic acid have also been studied extensively. Research indicates that this compound has favorable absorption, distribution, metabolism, and excretion (ADME) profiles. Its good oral bioavailability and low toxicity make it an attractive candidate for further drug development. Moreover, the compound's stability under physiological conditions ensures that it remains active in the body for an extended period.

In the context of chemical synthesis, (4-Methoxybenzoyl)thioacetic acid serves as a valuable building block for the preparation of more complex molecules. Its reactive thioacetic acid group can participate in various chemical reactions, such as nucleophilic substitution and condensation reactions. This versatility makes it a useful intermediate in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals.

The safety profile of (4-Methoxybenzoyl)thioacetic acid has been evaluated through extensive toxicological studies. These studies have shown that the compound is generally well-tolerated at therapeutic doses and does not exhibit significant toxicity or adverse effects. However, as with any chemical compound, proper handling and storage precautions should be observed to ensure safety in laboratory settings.

In conclusion, (4-Methoxybenzoyl)thioacetic acid (CAS No. 57436-45-0) is a multifunctional compound with a wide range of potential applications in medicinal chemistry and pharmaceutical research. Its unique chemical structure endows it with valuable biological activities, making it a promising candidate for the development of new therapeutic agents. Ongoing research continues to uncover new insights into its properties and potential uses, further solidifying its importance in the scientific community.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:57436-45-0)(4-Methoxybenzoyl)thioacetic acid
A915054
Purity:99%/99%
Quantity:1g/5g
Price ($):160.0/479.0
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