CAS 88891-75-2

pyrimidine-5-carbothioamide

Description:

Pyrimidine-5-carbothioamide is a heterocyclic organic compound characterized by the presence of a pyrimidine ring, which is a six-membered aromatic ring containing two nitrogen atoms at positions 1 and 3. The "carbothioamide" functional group indicates the presence of a thiocarbonyl group (C=S) attached to an amine (NH2) at the 5-position of the pyrimidine ring. This compound typically exhibits properties such as moderate solubility in polar solvents and potential reactivity due to the presence of the thiocarbonyl group, which can participate in various chemical reactions, including nucleophilic additions. Pyrimidine derivatives are often of interest in medicinal chemistry due to their biological activity, and compounds like pyrimidine-5-carbothioamide may exhibit antimicrobial or antitumor properties. The compound's structure allows for potential interactions with biological targets, making it a subject of study in drug development. As with many organic compounds, safety and handling precautions should be observed, as the specific toxicity and environmental impact of pyrimidine-5-carbothioamide would depend on its concentration and exposure conditions.

Formula: C₅H₅N₃S

InChI: InChI=1/C5H5N3S/c6-5(9)4-1-7-3-8-2-4/h1-3H,(H2,6,9)

SMILES: c1c(cncn1)C(=N)S

Synonyms:

• 88891-75-2
• Pyrimidine-5-carbothioic acid amide

Pyrimidine-5-carbothioamide

CAS: 88891-75-2

Formula: C₅H₅N₃S

Purity: 98%

Color and Shape: Solid

Molecular weight: 139.1783

Ref: IN-DA0049OH

Pyrimidine-5-carbothioamide

CAS: 88891-75-2

Pyrimidine-5-carbothioamide

Purity: 98%

Molecular weight: 139.18g/mol

Ref: 54-OR1007242

Pyrimidine-5-carbothioamide

CAS: 88891-75-2

Formula: C₅H₅N₃S

Purity: 98%

Color and Shape: Solid

Molecular weight: 139.18

Ref: 10-F234228

Pyrimidine-5-carbothioic acid amide

CAS: 88891-75-2

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.

Formula: C₅H₅N₃S

Purity: Min. 95%

Molecular weight: 139.18 g/mol

Ref: 3D-NP57371