CAS 885280-96-6

1H-1,2,3-Triazole-5-carbothioamide

Description:

1H-1,2,3-Triazole-5-carbothioamide is a heterocyclic compound characterized by a triazole ring, which consists of three nitrogen atoms and two carbon atoms in a five-membered ring structure. This compound features a carbothioamide functional group, which includes a carbonyl group (C=O) bonded to a sulfur atom (S) and an amine (NH2) group. The presence of the triazole ring imparts unique chemical properties, including potential for coordination with metal ions and biological activity, making it of interest in medicinal chemistry and agricultural applications. The compound is typically a solid at room temperature and may exhibit solubility in polar solvents. Its reactivity can be influenced by the functional groups present, allowing for various chemical transformations. Additionally, 1H-1,2,3-Triazole derivatives are known for their antimicrobial and antifungal properties, which may be relevant in the development of pharmaceuticals. Overall, this compound represents a versatile scaffold in organic synthesis and drug discovery.

Formula: C₃H₄N₄S

InChI: InChI=1S/C3H4N4S/c4-3(8)2-1-5-7-6-2/h1H,(H2,4,8)(H,5,6,7)

InChI key: InChIKey=RMDLSLIMPDVLAI-UHFFFAOYSA-N

SMILES: C(N)(=S)C1=CN=NN1

Synonyms:

• 1H-1,2,3-triazole-4-carbothioamide
• 1H-1,2,3-Triazole-5-carbothioamide

3H-1,2,3-triazole-4-carbothioamide

CAS: 885280-96-6

Formula: C₃H₄N₄S

Molecular weight: 128.1557

Ref: IN-DA00895N