Carbonodithioic acid, O-(1-methylethyl) ester, potassium salt


Chemical Name: Carbonodithioic acid, O-(1-methylethyl) ester, potassium salt
CAS Number: 140-92-1
Product Number: AG001BY9(AGN-PC-0PQ2BQ)
Synonyms:
MDL No:
Molecular Formula: C4H7KOS2
Molecular Weight: 174.3261

Identification/Properties


Properties
MP:
264 °C (dec.)(lit.)
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
174.317g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
173.958g/mol
Monoisotopic Mass:
173.958g/mol
Topological Polar Surface Area:
42.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
74.4
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:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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Chemical Structure



Potassium O-isopropyl carbonodithioate, also known as $name$, serves as a versatile reagent in chemical synthesis. This compound is frequently utilized as a potent nucleophilic thiolating agent that effectively introduces sulfur-containing functional groups into organic molecules. The presence of the potassium cation enhances the nucleophilicity of the carbonodithioate anion, facilitating its reaction with a wide range of electrophiles.In organic synthesis, $name$ can be employed to thiolate various electrophiles, such as alkyl halides, epoxides, and carbonyl compounds. The resulting thiolated products often exhibit altered physicochemical properties, making them valuable intermediates in the synthesis of pharmaceuticals, agrochemicals, and materials. Additionally, $name$ can participate in desulfurization reactions, enabling the removal of sulfur atoms from organic molecules under mild conditions.Furthermore, this reagent finds application in the modification of biomolecules, such as peptides and proteins, through thiolation reactions, offering new opportunities for the functionalization and manipulation of bioactive compounds. Its high reactivity and selectivity make it a powerful tool for the construction of complex molecular architectures with sulfur linkages, contributing to the advancement of synthetic methodologies in organic chemistry.