Cas no 83494-32-0 (2-(difluoromethyl)sulfanylacetic acid)

2-(Difluoromethyl)sulfanylacetic acid is a fluorinated organosulfur compound characterized by its difluoromethylthio (–SCF?H) and carboxylic acid (–COOH) functional groups. This structure imparts unique reactivity and potential applications in pharmaceutical and agrochemical synthesis, where the difluoromethylthio moiety can enhance metabolic stability and bioavailability. The carboxylic acid group allows for further derivatization, making it a versatile intermediate in organic synthesis. Its balanced lipophilicity and electronic properties may contribute to improved binding affinity in biologically active molecules. The compound's stability under typical reaction conditions and compatibility with common synthetic methodologies further underscore its utility as a building block in medicinal chemistry and material science.
2-(difluoromethyl)sulfanylacetic acid structure
83494-32-0 structure
Product Name:2-(difluoromethyl)sulfanylacetic acid
CAS No:83494-32-0
MF:C3H4F2O2S
MW:142.124466896057
MDL:MFCD29986524
CID:60575
PubChem ID:14232186
Update Time:2025-06-15

2-(difluoromethyl)sulfanylacetic acid Chemical and Physical Properties

Names and Identifiers

    • Difluoromethylthioacetic acid
    • DIFLUOROMETHYLSULFANYL-ACETIC ACID
    • DIFLUOROMETHYLTHIO ACETIC ACID-
    • Difluoromethylthioacetic Acid Potassium Salt
    • 2-?[(difluoromethyl)?thio]?Acetic acid
    • Difluoromethylthioacetatic acid potassium salt
    • Aceticacid, [(difluoromethyl)thio]- (9CI)
    • (Difluoromethylthio)acetic acid
    • 2-[(Difluoromethyl)thio]acetic acid
    • 2-[(Difluoromethyl)thio]acetic acid (ACI)
    • Acetic acid, [(difluoromethyl)thio]- (9CI)
    • 2-[(Difluoromethyl)sulfanyl]acetic acid
    • SCHEMBL4655762
    • Difluoromethylthio acetic acid
    • C3H4F2O2S
    • CS-0240100
    • FT-0657830
    • BCP19125
    • 2-(difluoromethylsulfanyl)acetic acid
    • AC9774
    • SY172606
    • PUMOZGHFFIXBHD-UHFFFAOYSA-N
    • AKOS009075845
    • EN300-22483
    • 83494-32-0
    • 2-(difluoromethylthio)acetic acid
    • 2-(difluoromethyl)sulfanylacetic acid
    • MDL: MFCD29986524
    • Inchi: 1S/C3H4F2O2S/c4-3(5)8-1-2(6)7/h3H,1H2,(H,6,7)
    • InChI Key: PUMOZGHFFIXBHD-UHFFFAOYSA-N
    • SMILES: O=C(CSC(F)F)O

Computed Properties

  • Exact Mass: 141.99000
  • Monoisotopic Mass: 141.99000686g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 85.4
  • 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: 1.4
  • Topological Polar Surface Area: 62.6?2

Experimental Properties

  • Density: 1.255
  • Boiling Point: 126.2°C at 760 mmHg
  • Flash Point: 30.1°C
  • Refractive Index: 1.396
  • PSA: 62.60000
  • LogP: 1.02680

2-(difluoromethyl)sulfanylacetic acid Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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2-(difluoromethyl)sulfanylacetic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:83494-32-0)2-(difluoromethyl)sulfanylacetic acid
Order Number:A840588
Stock Status:in Stock
Quantity:10g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 06:50
Price ($):790.0

Additional information on 2-(difluoromethyl)sulfanylacetic acid

Introduction to 2-(difluoromethyl)sulfanylacetic acid (CAS No. 83494-32-0)

2-(difluoromethyl)sulfanylacetic acid, identified by the Chemical Abstracts Service Number (CAS No.) 83494-32-0, is a significant compound in the realm of pharmaceutical and chemical research. This molecule, featuring a unique sulfanyl group attached to a difluoromethyl-substituted acetic acid backbone, has garnered attention due to its versatile applications in medicinal chemistry and synthetic biology. The presence of both fluorine atoms and a sulfanyl moiety imparts distinct electronic and steric properties, making it a valuable building block for the development of novel bioactive molecules.

The structural features of 2-(difluoromethyl)sulfanylacetic acid contribute to its reactivity and functionality. The difluoromethyl group, known for its electron-withdrawing inductive effect, can modulate the reactivity of adjacent functional groups, while the sulfanyl group offers potential sites for further derivatization. These characteristics have positioned this compound as a key intermediate in the synthesis of various pharmacologically relevant molecules.

In recent years, 2-(difluoromethyl)sulfanylacetic acid has been explored in the development of innovative therapeutic agents. Its incorporation into drug candidates has shown promise in multiple therapeutic areas, including anti-inflammatory, anticancer, and antimicrobial applications. The fluorine atoms enhance metabolic stability and binding affinity, which are critical factors in drug design. Furthermore, the sulfanyl group can participate in hydrogen bonding interactions, improving the solubility and bioavailability of drug molecules.

One of the most compelling aspects of 2-(difluoromethyl)sulfanylacetic acid is its role in modulating enzyme activity. Researchers have leveraged its structural motifs to develop inhibitors targeting key enzymes involved in disease pathways. For instance, studies have demonstrated its potential in inhibiting proteases that play a role in cancer progression. The ability to fine-tune the electronic properties of the molecule allows for selective inhibition, minimizing off-target effects.

The synthesis of 2-(difluoromethyl)sulfanylacetic acid involves sophisticated organic transformations that highlight its synthetic utility. Advanced methods such as cross-coupling reactions and fluorination techniques have been employed to construct its complex framework. These synthetic strategies not only showcase the compound's versatility but also contribute to the broader toolkit available for medicinal chemists.

Recent advancements in computational chemistry have further enhanced the understanding of 2-(difluoromethyl)sulfanylacetic acid's behavior. Molecular modeling studies have provided insights into its interactions with biological targets, aiding in the rational design of next-generation drug candidates. These computational approaches complement experimental efforts, enabling more efficient discovery processes.

The pharmaceutical industry has taken notice of 2-(difluoromethyl)sulfanylacetic acid's potential, leading to increased investment in its derivative development. Several companies are currently engaged in clinical trials evaluating drugs based on this scaffold. Preliminary results are promising, indicating that compounds derived from this molecule may offer significant therapeutic benefits.

Beyond pharmaceutical applications, 2-(difluoromethyl)sulfanylacetic acid has found utility in agrochemical research. Its structural features make it a suitable candidate for developing novel pesticides and herbicides that target specific biological pathways in pests while minimizing environmental impact. This dual application underscores its broad industrial relevance.

The future prospects of 2-(difluoromethyl)sulfanylacetic acid are bright, with ongoing research exploring new derivatives and applications. As our understanding of molecular interactions deepens, so too will the potential uses of this versatile compound. Collaborative efforts between academia and industry are essential to fully realize its promise in addressing global health challenges.

In conclusion, 2-(difluoromethyl)sulfanylacetic acid (CAS No. 83494-32-0) stands as a testament to the power of structural diversity in drug discovery. Its unique combination of functional groups and electronic properties makes it an indispensable tool for chemists and biologists alike. As research continues to uncover new applications, this compound will undoubtedly play a pivotal role in shaping the future of medicine and chemical innovation.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:83494-32-0)2-(difluoromethyl)sulfanylacetic acid
A840588
Purity:99%
Quantity:10g
Price ($):790.0
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