1,4-Oxathiane-2,6-dione


Chemical Name: 1,4-Oxathiane-2,6-dione
CAS Number: 3261-87-8
Product Number: AG003USA(AGN-PC-0JMPQW)
Synonyms:
MDL No:
Molecular Formula: C4H4O3S
Molecular Weight: 132.1378

Identification/Properties


Properties
MP:
94 °C
BP:
341.8°C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Stability:
Moisture Sensitive
Computed Properties
Molecular Weight:
132.133g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
131.988g/mol
Monoisotopic Mass:
131.988g/mol
Topological Polar Surface Area:
68.7A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
117
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



Thiodiglycolic anhydride plays a crucial role in chemical synthesis as a versatile reagent. Its unique structure and properties make it a valuable tool in producing various compounds used in organic chemistry. As a reactive compound, thiodiglycolic anhydride is especially useful in acylation reactions, where it can be utilized to introduce the thiodiglycolic acid functional group into target molecules. This facilitates the synthesis of specialized materials and compounds for research and industrial applications. Thiodiglycolic anhydride's ability to selectively modify specific functional groups in molecules makes it a valuable asset in the toolbox of synthetic chemists seeking to design and create new chemical entities with tailored properties.