Cas no 41858-09-7 (S-(2-Hydroxyethyl) ethanethioate)

S-(2-Hydroxyethyl) ethanethioate is a sulfur-containing organic compound with the molecular formula C?H?O?S. It features both a thioester and a hydroxyl functional group, making it a versatile intermediate in organic synthesis and pharmaceutical applications. The compound’s reactivity allows for selective modifications, particularly in thiol- and alcohol-based reactions. Its stability under standard conditions ensures ease of handling and storage. Due to its bifunctional nature, it is useful in the preparation of heterocyclic compounds, polymer precursors, and specialty chemicals. The presence of the thioester group also enables its use in biochemical studies, such as enzyme inhibition or protein modification. High purity grades are available for research and industrial applications.
S-(2-Hydroxyethyl) ethanethioate structure
41858-09-7 structure
Product Name:S-(2-Hydroxyethyl) ethanethioate
CAS No:41858-09-7
MF:C4H8O2S
MW:120.170120239258
CID:2826986
PubChem ID:15078649
Update Time:2025-05-23

S-(2-Hydroxyethyl) ethanethioate Chemical and Physical Properties

Names and Identifiers

    • S-acetyl-2-hydroxy-1-thioethane
    • 41858-09-7
    • Ethanethioic acid, S-(2-hydroxyethyl) ester
    • SCHEMBL264023
    • DTXSID90567915
    • DTXCID90518689
    • S-(2-Hydroxyethyl) ethanethioate
    • Inchi: 1S/C4H8O2S/c1-4(6)7-3-2-5/h5H,2-3H2,1H3
    • InChI Key: URXXNPNLYCRXNE-UHFFFAOYSA-N
    • SMILES: S(C(C)=O)CCO

Computed Properties

  • Exact Mass: 120.02450067Da
  • Monoisotopic Mass: 120.02450067Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 3
  • Complexity: 62.7
  • 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: 0
  • Topological Polar Surface Area: 62.6?2

S-(2-Hydroxyethyl) ethanethioate Pricemore >>

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Additional information on S-(2-Hydroxyethyl) ethanethioate

S-(2-Hydroxyethyl) Ethanethioate: A Comprehensive Overview

S-(2-Hydroxyethyl) ethanethioate, identified by the CAS number 41858-09-7, is a compound of significant interest in various fields of chemistry and materials science. This compound, also referred to as ethyl S-(2-hydroxyethyl) thioacetate, is a sulfur-containing organic compound with unique properties that make it valuable in both academic research and industrial applications.

The molecular structure of S-(2-Hydroxyethyl) ethanethioate consists of a thioester functional group, which plays a crucial role in its chemical reactivity and versatility. The presence of the hydroxyl group (-OH) on the ethyl chain introduces additional functionality, enabling this compound to participate in a wide range of chemical reactions. Recent studies have highlighted its potential as a building block in the synthesis of advanced materials, including polymers and bioactive molecules.

One of the most notable aspects of S-(2-Hydroxyethyl) ethanethioate is its ability to undergo nucleophilic acyl substitution reactions. This property has been exploited in the development of novel synthetic pathways for complex organic molecules. For instance, researchers have utilized this compound as an intermediate in the synthesis of biodegradable polymers, which have applications in drug delivery systems and environmental sustainability.

In addition to its role in organic synthesis, S-(2-Hydroxyethyl) ethanethioate has been studied for its potential in catalysis. Recent findings suggest that this compound can act as a ligand in transition metal-catalyzed reactions, enhancing the efficiency and selectivity of these processes. This discovery opens up new avenues for its use in industrial catalysis and green chemistry.

The physical properties of S-(2-Hydroxyethyl) ethanethioate are also worth mentioning. It has a melting point of approximately -30°C and a boiling point around 110°C under standard conditions. Its solubility in common organic solvents such as dichloromethane and THF makes it convenient for use in laboratory settings. Furthermore, its stability under mild conditions ensures that it can be handled without significant safety concerns.

From an environmental perspective, S-(2-Hydroxyethyl) ethanethioate has been shown to degrade relatively quickly under aerobic conditions, reducing its persistence in the environment. This characteristic aligns with current trends toward developing eco-friendly chemical compounds that minimize ecological impact.

In conclusion, S-(2-Hydroxyethyl) ethanethioate, with its unique chemical properties and versatile applications, continues to be a focal point in both academic and industrial research. As advancements in synthetic chemistry and materials science progress, this compound is likely to find even more innovative uses, further solidifying its importance in the chemical landscape.

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