CAS 1287217-54-2

2-Methyl-5-benzoxazolecarbothioamide

Description:

2-Methyl-5-benzoxazolecarbothioamide is a chemical compound characterized by its unique structural features, which include a benzoxazole ring and a carbothioamide functional group. This compound typically exhibits properties associated with heterocyclic compounds, including potential biological activity due to the presence of the benzoxazole moiety, which is known for its role in various pharmacological applications. The methyl group at the 2-position of the benzoxazole ring can influence the compound's solubility and reactivity. As a carbothioamide, it may display thiol-like characteristics, which can affect its interactions in biological systems. The compound's molecular structure suggests it may participate in hydrogen bonding and other intermolecular interactions, making it of interest in medicinal chemistry and material science. Additionally, its CAS number, 1287217-54-2, allows for precise identification and retrieval of data related to its synthesis, properties, and potential applications in research and industry. Overall, 2-Methyl-5-benzoxazolecarbothioamide represents a class of compounds with diverse chemical behavior and potential utility in various fields.

Formula: C₉H₈N₂OS

InChI: InChI=1S/C9H8N2OS/c1-5-11-7-4-6(9(10)13)2-3-8(7)12-5/h2-4H,1H3,(H2,10,13)

InChI key: InChIKey=XGIRTTMWNGAPLV-UHFFFAOYSA-N

SMILES: C(N)(=S)C=1C=C2C(=CC1)OC(C)=N2

Synonyms:

• 5-Benzoxazolecarbothioamide, 2-methyl-
• 2-Methyl-5-benzoxazolecarbothioamide