Cas no 38945-01-6 (sodium thiophene-2-sulfinate)

Sodium thiophene-2-sulfinate is a versatile organosulfur compound with the molecular formula C?H?NaO?S?. It serves as a valuable intermediate in organic synthesis, particularly in the preparation of sulfone and sulfoxide derivatives. The compound exhibits high reactivity in nucleophilic substitution and radical reactions, making it useful for constructing complex heterocyclic frameworks. Its water solubility and stability under mild conditions enhance its practicality in aqueous-phase reactions. Sodium thiophene-2-sulfinate is also employed in pharmaceutical and materials science research, where its ability to introduce sulfinate groups enables precise functionalization of target molecules. The product is typically supplied as a white to off-white crystalline powder with consistent purity.
sodium thiophene-2-sulfinate structure
sodium thiophene-2-sulfinate structure
Product Name:sodium thiophene-2-sulfinate
CAS No:38945-01-6
MF:C4H3NaO2S2
MW:170.18518948555
MDL:MFCD11656003
CID:320475
PubChem ID:23674657
Update Time:2025-06-10

sodium thiophene-2-sulfinate Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenesulfinicacid, sodium salt (1:1)
    • thiophene-2-sulfinic acid
    • [2]Thienylmethyl-malononitril
    • [2]thienylmethyl-malononitrile
    • 2-[(thiophen-2-yl)methyl]propanedinitrile
    • 2-thienylmethylmalononitrile
    • 2-thienylsulfinic acid sodium salt
    • AC1L6VHC
    • NSC506397
    • sodium 2-thienylsulfinate
    • sodium thiophene-2-sulfinate
    • sodium thiophene-2-sulphinate
    • MDL: MFCD11656003
    • Inchi: 1S/C4H4O2S2.Na/c5-8(6)4-2-1-3-7-4;/h1-3H,(H,5,6);/q;+1/p-1
    • InChI Key: RRLLXOFIOPVYOP-UHFFFAOYSA-M
    • SMILES: S1C=CC=C1S(=O)[O-].[Na+]

Computed Properties

  • Exact Mass: 147.96532
  • Monoisotopic Mass: 169.947
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 109
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 87.6A^2

Experimental Properties

  • Density: 1.68
  • Boiling Point: 371.5°C at 760 mmHg
  • Flash Point: 178.5°C
  • Refractive Index: 1.736
  • PSA: 37.3
  • LogP: 2.19440

sodium thiophene-2-sulfinate Pricemore >>

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Additional information on sodium thiophene-2-sulfinate

2-Thiophenesulfinic Acid, Sodium Salt (1:1) - A Comprehensive Overview

The compound 2-Thiophenesulfinic Acid, Sodium Salt (1:1), with the CAS number 38945-01-6, is a significant chemical entity in the field of organic synthesis and materials science. This compound is a sodium salt of 2-thiophenesulfinic acid, where the sulfur atom in the thiophene ring is substituted with a sulfinic acid group (-SO?H). The 1:1 stoichiometry indicates a one-to-one molar ratio between the acid and the sodium cation, making it a neutral salt.

Thiophene derivatives have long been of interest to chemists due to their unique electronic properties and structural versatility. The sulfinic acid group in 2-Thiophenesulfinic Acid, Sodium Salt (1:1) introduces additional functional complexity, enabling this compound to participate in a wide range of chemical reactions. Recent studies have highlighted its potential as a precursor for synthesizing advanced materials, including conductive polymers and metal-organic frameworks (MOFs). For instance, researchers have demonstrated that this compound can serve as a building block for constructing sulfonated thiophene-based polymers with enhanced electron transport properties.

One of the most promising applications of 2-Thiophenesulfinic Acid, Sodium Salt (1:1) lies in its role as an intermediate in pharmaceutical chemistry. The sulfinic acid group is known to exhibit bioactive properties, making it a valuable component in drug design. Recent advancements in medicinal chemistry have explored its use in synthesizing bioisosteres and prodrugs, which can improve the pharmacokinetic profiles of therapeutic agents. For example, studies have shown that derivatives of this compound can modulate enzyme activity and exhibit anti-inflammatory effects.

In addition to its role in organic synthesis, 2-Thiophenesulfinic Acid, Sodium Salt (1:1) has garnered attention for its potential in electrochemistry. The thiophene ring provides excellent conjugation capabilities, while the sulfinic acid group introduces redox activity. This combination makes it an ideal candidate for applications in energy storage devices such as batteries and supercapacitors. Recent research has focused on incorporating this compound into electrode materials to enhance their electrochemical performance.

The synthesis of 2-Thiophenesulfinic Acid, Sodium Salt (1:1) typically involves oxidation reactions of thiophene derivatives followed by neutralization with sodium hydroxide or sodium carbonate. The reaction conditions are carefully controlled to ensure high purity and stability of the final product. Advanced characterization techniques such as NMR spectroscopy and X-ray diffraction are employed to confirm the structure and crystallinity of the compound.

From an environmental perspective, 2-Thiophenesulfinic Acid, Sodium Salt (1:1) has been studied for its biodegradability and eco-friendly properties. Researchers have found that under specific microbial conditions, this compound can undergo enzymatic degradation, making it a more sustainable alternative to traditional chemical intermediates.

In conclusion, 2-Thiophenesulfinic Acid, Sodium Salt (1:1) is a versatile and multifaceted compound with applications spanning organic synthesis, pharmaceuticals, electrochemistry, and environmental science. Its unique chemical structure and functional groups make it an invaluable tool for researchers seeking to develop innovative materials and therapies. As ongoing research continues to uncover new potentials for this compound, its significance in various scientific domains is expected to grow further.

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