1,3-Dithiol-2-one, 4,5-bis(methylthio)-


Chemical Name: 1,3-Dithiol-2-one, 4,5-bis(methylthio)-
CAS Number: 61485-46-9
Product Number: AG003KH7(AGN-PC-0JX29X)
Synonyms:
MDL No:
Molecular Formula: C5H6OS4
Molecular Weight: 210.36054

Identification/Properties


Properties
Storage:
Room Temperature;Light sensitive;Inert atmosphere;
Computed Properties
Molecular Weight:
210.342g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
209.93g/mol
Monoisotopic Mass:
209.93g/mol
Topological Polar Surface Area:
118A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
168
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

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



4,5-Bis(methylthio)-1,3-dithiol-2-one, commonly known as $name$, is a versatile compound widely used in chemical synthesis. Its unique structure and reactivity make it a valuable building block in organic chemistry.In chemical synthesis, $name$ serves as a key intermediate for the preparation of various sulfur-containing compounds. Due to its sulfur-rich nature, it is often utilized in the synthesis of organosulfur compounds that are important in pharmaceuticals, agrochemicals, and materials science.One of the significant applications of 4,5-Bis(methylthio)-1,3-dithiol-2-one is its role in the synthesis of dithiolane derivatives. These derivatives are known for their ability to chelate metal ions, making them essential for metal-catalyzed reactions and coordination chemistry.Moreover, $name$ can also be employed in the preparation of thioesters and disulfides through oxidative coupling reactions. These compounds have diverse applications in organic synthesis, serving as key intermediates for the formation of more complex molecules.Overall, the use of 4,5-Bis(methylthio)-1,3-dithiol-2-one in chemical synthesis showcases its importance as a versatile reagent for constructing sulfur-containing compounds with various functionalities.