4-Oxothiane

4-Oxothiane is used as a solvent and in the manufacture of pharmaceuticals, dyes, and other chemicals.

Designed for biological research and industrial applications, not intended for individual clinical or medical purposes.
4-Oxothiane(CAS 1072-72-6)

CAT No: HB00136

CAS No:1072-72-6

Synonyms/Alias:Tetrahydrothiopyran-4-one;1072-72-6;Tetrahydro-4H-thiopyran-4-one;thian-4-one;4-Oxothiane;Penthianone;4-Thiacyclohexanone;4H-Thiopyran-4-one, tetrahydro-;1-Thiacyclohexan-4-one;dihydro-2H-thiopyran-4(3H)-one;Tetrahydro-4-thiopyrone;4-Oxotetrahydrothiopyran;Tetrahydrothiopyranone;Tetrahydro-1-thio-4-pyrone;4-THIANONE;Tetrahydro-1,4-thiapyrone;2,3,5,6-Tetrahydro-4-thiopyranone;UNII-667X5M356L;Tetrahydro-1-thio-.gamma.-pyrone;4-tetrahydrothiopyranone;Tetrahydrothia-4-pyranone;EINECS 214-015-7;MFCD00006660;NSC 41599;NSC-41599;667X5M356L;4h-tetrahydrothiopyran-4-one;Tetrahydro-4H-thiapyran-4-one;4-THIACYCLOHEXAN-1-ONE;TETRAHYDROTHIAPYRAN-4-ONE;DTXSID40147948;TETRAHYDRO-2H-THIOPYRAN-4-ONE;Tetrahydro-thiopyran-4-one;Tetrahydro-?4H-?thiopyran-?4-?one;Tetrahydro-1-thio-gamma-pyrone;tetrahydrothiopyran4-one;Tetrahydrothiopyran-4one;terahydrothiopyran-4-one;SCHEMBL103558;SCHEMBL5196763;DTXCID6070439;tetrahydro-(4H)-thiopyran-4-one;2,5,6-Tetrahydro-4-thiopyranone;HMS1788F19;ALBB-006274;BCP09565;dihydro-2H-thiopyran-4 (3H)-one;NSC41599;STK503799;AKOS000321369;Tetrahydro-4H-thiopyran-4-one, 99%;AC-1822;CS-W002007;HY-W002007;PB25896;PS-4496;4H-Thiopyran-4-one, tetrahydro-(8CI);SY007101;DB-015053;NS00021490;O0112;EN300-10900;4H-Thiopyran-4-one, tetrahydro-(8CI)(9CI);Q27263968;F0001-2573;Tetrahydro-4H-thiopyran-4-one, purum, >=99.0% (GC);

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M.F/Formula
C5H8OS
M.W/Mr.
116.18
Purity
98%

4-Oxothiane is a versatile heterocyclic carbohydrate compound recognized for its unique six-membered thiane ring structure featuring a ketone functional group at the 4-position. This molecular configuration imparts distinctive chemical reactivity, rendering the compound valuable in a variety of synthetic, analytical, and research contexts. As a sulfur-containing cyclic ketone, 4-Oxothiane serves as a crucial intermediate in organic synthesis, enabling the construction of more complex molecules. Its compatibility with diverse functional groups and stability under a range of reaction conditions further enhances its utility for chemists and researchers seeking innovative solutions for challenging synthetic transformations.

Synthetic Intermediate: In organic chemistry, 4-Oxothiane is widely used as a building block in the synthesis of advanced heterocyclic compounds. The presence of both a sulfur atom and a ketone group allows for selective functionalization, facilitating the formation of novel structures that are otherwise difficult to access. Researchers often utilize this compound in multi-step synthetic sequences, where its reactivity enables the introduction of additional substituents or the construction of fused ring systems. Such applications are particularly valuable in the development of new materials, agrochemicals, and specialty chemicals, where the ability to tailor molecular frameworks is essential.

Pharmaceutical Research: While not used directly as a drug, the thiane-4-one scaffold is of particular interest in medicinal chemistry for its role in the design and synthesis of bioactive molecules. The sulfur-containing ring and the ketone moiety can mimic or modify structural motifs found in natural products and pharmacophores, making it a useful template for generating compound libraries. Medicinal chemists exploit these features to investigate structure-activity relationships, optimize lead compounds, and explore novel mechanisms of biological interaction. The compound's versatility supports the rapid diversification of chemical entities, fostering innovation in early-stage drug discovery.

Material Science: The unique electronic properties of 4-Oxothiane, attributed to the combination of a heterocyclic ring and a carbonyl group, enable its application in the development of advanced materials. It can be incorporated into polymer backbones or used as a precursor for the synthesis of functionalized monomers, contributing to the creation of materials with tailored mechanical, thermal, or electronic properties. Researchers in materials science leverage its reactivity to design polymers with specific conductivity, flexibility, or resistance characteristics, supporting progress in fields such as electronics, coatings, and nanotechnology.

Analytical Chemistry: In the realm of analytical chemistry, 4-Oxothiane serves as a standard or reference compound for method development and validation. Its well-defined structure and predictable reactivity make it suitable for calibrating analytical instruments, optimizing chromatographic separations, or serving as a model compound in mechanistic studies. Analytical chemists benefit from its stability and detectability, which facilitate the accurate quantification and identification of related substances in complex mixtures. This application supports the advancement of robust analytical methodologies across a spectrum of research and industrial laboratories.

Chemical Education and Mechanistic Studies: 4-Oxothiane is also utilized in academic and educational settings as a model substrate for teaching and investigating fundamental principles of organic chemistry. Its structural features provide an excellent platform for exploring reaction mechanisms involving nucleophilic addition, ring-opening, or sulfur chemistry. Students and researchers can employ it in laboratory experiments designed to illustrate key concepts such as regioselectivity, stereochemistry, and functional group transformations. By offering a tangible example of heterocyclic reactivity, it enriches the educational experience and deepens understanding of complex chemical phenomena.

Through these diverse applications, 4-Oxothiane demonstrates its significance as a multifaceted tool in modern chemistry. Its adaptability across synthetic, pharmaceutical, material, analytical, and educational domains underscores its value to researchers and innovators seeking to expand the boundaries of scientific knowledge and technological advancement.

InChI
InChI=1S/C5H8OS/c6-5-1-3-7-4-2-5/h1-4H2
InChI Key
OVRJVKCZJCNSOW-UHFFFAOYSA-N

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