CAS 104926-41-2

Carbamimidothioic acid, 1H-imidazol-4-ylmethyl ester

Description:

Carbamimidothioic acid, 1H-imidazol-4-ylmethyl ester, is a chemical compound characterized by its unique structure that includes an imidazole ring and a carbamimidothioic acid moiety. This compound typically exhibits properties associated with both thioamide and imidazole functionalities, which can influence its reactivity and interactions in biological systems. It may act as a potential ligand or precursor in various chemical reactions, particularly in the synthesis of more complex molecules. The presence of the imidazole ring suggests potential applications in medicinal chemistry, as imidazole derivatives are often found in pharmaceuticals due to their biological activity. Additionally, the compound's thioamide group may impart specific characteristics such as increased nucleophilicity or altered solubility compared to its amide counterparts. Overall, the unique combination of functional groups in this compound may lead to interesting chemical behavior and potential applications in various fields, including organic synthesis and drug development.

Formula: C₅H₈N₄S

InChI: InChI=1S/C5H8N4S/c6-5(7)10-2-4-1-8-3-9-4/h1,3H,2H2,(H3,6,7)(H,8,9)

InChI key: InChIKey=OSIYUQJMZWEHDC-UHFFFAOYSA-N

SMILES: C(SC(=N)N)C1=CN=CN1

Synonyms:

• Carbamimidothioic acid, 1H-imidazol-4-ylmethyl ester
• (1H-Imidazol-4-yl)methyl carbamimidothioate
• VUF 8321