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NP57371

Pyrimidine-5-carbothioic acid amide

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CAS No

[88891-75-2]

Product Code

NP57371

MDL No

MFCD05662462

MOL file

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Chemical Formula

C₅H₅N₃S

Molecular Weight

139.18 g/mol

Smiles

C1=C(C=NC=N1)C(=S)N

Pyrimidine-5-carbothioic acid amide (PCA) is an organic compound that contains a pyrimidine ring and a carboxylic acid amide group. PCA forms crystalline solids with the molecular formula C4H10N2O4. The x-ray crystal structure of PCA has been determined, revealing the molecule to have a chair conformation with two hydrogen bonds. The molecule can be considered as stabilized by the base formation between the nitrogen atom in the pyrimidine ring and the oxygen atom in the carboxylic acid amide group. PCA has been used as a building block for other molecules, such as enamines, which are useful for computation studies. PCA is also an intermediate in chemical reactions involving nucleophilic substitution reactions and hydrogen abstraction reactions.

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TSE / BSE Statement

TSE-BSE declaration Pyrimidine-5-carbothioic acid amide NP57371

Retest Statement

Retest Statement Pyrimidine-5-carbothioic acid amide NP57371

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derivatives, hydrogen, formation, hydrogen bonding, enol form, bonding, studies, crystallography, crystal, base formation, pharmaceutical, enamine, structure, tert-butyl, diversity, hydrogen bonds, acid derivatives, crystal structure, single-crystal x-ray, computation, science, x-ray, spectroscopic studies, configurations, energy, x-ray crystallography, condensation, stabilization, spectroscopic,

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