1,4-Oxathiane, 4,4-dioxide


Chemical Name: 1,4-Oxathiane, 4,4-dioxide
CAS Number: 107-61-9
Product Number: AG0032N7(AGN-PC-0JK8AG)
Synonyms:
MDL No:
Molecular Formula: C4H8O3S
Molecular Weight: 136.1695

Identification/Properties


Properties
MP:
131-133 °C
BP:
339.7°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.4640 (estimate)
Computed Properties
Molecular Weight:
136.165g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
136.019g/mol
Monoisotopic Mass:
136.019g/mol
Topological Polar Surface Area:
51.8A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
141
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



1,4-Thioxane-1,1-dioxide is a versatile compound that finds wide application in chemical synthesis. This heterocyclic compound serves as a building block in the synthesis of various pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure and reactivity make it a valuable intermediate in the creation of complex molecules.One of the key applications of 1,4-Thioxane-1,1-dioxide is its use as a precursor in the synthesis of sulfur-containing compounds. By incorporating this compound into chemical reactions, chemists can introduce a sulfur functionality into organic molecules, thereby enhancing the properties and activities of the resulting products. Additionally, the presence of the thioxane ring in the molecule can impart unique reactivity that can be exploited in the design of novel compounds.Furthermore, 1,4-Thioxane-1,1-dioxide can act as a masked sulfur synthon, meaning that it can undergo selective transformations to release sulfur atoms under specific reaction conditions. This feature allows chemists to control the sulfur transfer in multi-step synthesis, leading to the formation of complex products with high efficiency and selectivity.Overall, the versatile nature of 1,4-Thioxane-1,1-dioxide makes it a valuable tool in the toolbox of synthetic chemists for the construction of diverse chemical structures with sulfur functionality.