1H-Imidazole-4-carboxylic acid, 2,3-dihydro-2-thioxo-, ethyl ester


Chemical Name: 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-2-thioxo-, ethyl ester
CAS Number: 64038-64-8
Product Number: AG00ECMI(AGN-PC-0KK7R2)
Synonyms:
MDL No:
Molecular Formula: C6H8N2O2S
Molecular Weight: 172.2049

Identification/Properties


Computed Properties
Molecular Weight:
172.202g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
172.031g/mol
Monoisotopic Mass:
172.031g/mol
Topological Polar Surface Area:
82.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
225
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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Chemical Structure



Ethyl 2-mercapto-1H-imidazole-4-carboxylate is a versatile compound widely utilized in chemical synthesis processes. This compound plays a crucial role as a building block in the development of various pharmaceuticals, agrochemicals, and functional materials. Its unique chemical structure allows for the introduction of sulfur-containing functional groups into organic molecules, enhancing their reactivity and properties.In chemical synthesis, Ethyl 2-mercapto-1H-imidazole-4-carboxylate can serve as a thiol-containing reagent for the modification of organic molecules through thiol-ene, thiol-Michael, or thiol-disulfide exchange reactions. Additionally, its imidazole core offers potential for coordination chemistry, enabling the formation of metal complexes with catalytic or luminescent properties.Furthermore, Ethyl 2-mercapto-1H-imidazole-4-carboxylate can act as a precursor for the synthesis of heterocyclic compounds with diverse functionalities, making it a valuable tool in the design and production of new materials with tailored properties. Its usage in the synthesis of bioactive compounds highlights its significance in the pharmaceutical industry for drug discovery and development.Overall, the application of Ethyl 2-mercapto-1H-imidazole-4-carboxylate in chemical synthesis showcases its importance as a versatile building block for creating complex organic molecules with enhanced properties and functionalities.