ISOTHIAZOLIDINE, 4-METHYL-, 1,1-DIOXIDE


Chemical Name: ISOTHIAZOLIDINE, 4-METHYL-, 1,1-DIOXIDE
CAS Number: 89211-22-3
Product Number: AG01AMUT(AGN-PC-0WAIVS)
Synonyms:
MDL No:
Molecular Formula: C4H9NO2S
Molecular Weight: 135.1848

Identification/Properties


Computed Properties
Molecular Weight:
135.181g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
135.035g/mol
Monoisotopic Mass:
135.035g/mol
Topological Polar Surface Area:
54.6A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
167
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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



4-methyl-1lambda6,2-thiazolidine-1,1-dione, commonly referred to as $name$, plays a crucial role in chemical synthesis as a versatile building block for the creation of a wide range of organic compounds. This compound is particularly valued for its ability to serve as a precursor in the synthesis of various pharmaceuticals, agrochemicals, and other fine chemicals. One of the notable applications of 4-methyl-1lambda6,2-thiazolidine-1,1-dione in chemical synthesis is its use in the production of heterocyclic compounds. By incorporating this compound into chemical reactions, chemists can introduce important structural features such as sulfur and nitrogen atoms in the resulting molecules, thereby enhancing their biological activity or other desired properties. Additionally, 4-methyl-1lambda6,2-thiazolidine-1,1-dione can participate in various transformations, including cyclization reactions, functional group modifications, and cross-coupling reactions. These synthetic pathways allow for the efficient and selective construction of complex molecules with specific stereochemical configurations that are crucial for their biological or industrial functions. Overall, the unique reactivity and versatility of 4-methyl-1lambda6,2-thiazolidine-1,1-dione make it an indispensable tool in the toolkit of organic chemists for the efficient synthesis of diverse chemical compounds with important applications in fields such as pharmaceuticals, agriculture, and materials science.