CAS 902779-62-8

(2E)-2-[(4-Oxo-4H-1-benzopyran-3-yl)methylene]hydrazinecarbothioamide

Description:

The chemical substance known as (2E)-2-[(4-Oxo-4H-1-benzopyran-3-yl)methylene]hydrazinecarbothioamide, with the CAS number 902779-62-8, exhibits several notable characteristics. It is a hybrid compound that combines a hydrazinecarbothioamide moiety with a benzopyran derivative, which is indicative of its potential biological activity. The presence of the benzopyran structure suggests that it may possess antioxidant properties, while the hydrazinecarbothioamide component could contribute to its reactivity and potential as a ligand in coordination chemistry. The compound is likely to be a solid at room temperature, with solubility varying depending on the solvent used, typically showing better solubility in polar organic solvents. Its molecular structure may allow for various interactions, including hydrogen bonding and π-π stacking, which could influence its behavior in biological systems. Overall, this compound may be of interest in medicinal chemistry for its potential therapeutic applications, particularly in the development of new drugs targeting various diseases.

Formula: C₁₁H₉N₃O₂S

InChI: InChI=1S/C11H9N3O2S/c12-11(17)14-13-5-7-6-16-9-4-2-1-3-8(9)10(7)15/h1-6H,(H3,12,14,17)/b13-5+

InChI key: InChIKey=YQOMHBIWKFONOC-WLRTZDKTSA-N

SMILES: O=C1C=2C(OC=C1/C=N/NC(N)=S)=CC=CC2

Synonyms:

• Hydrazinecarbothioamide, 2-[(4-oxo-4H-1-benzopyran-3-yl)methylene]-, (2E)-
• (2E)-2-[(4-Oxo-4H-1-benzopyran-3-yl)methylene]hydrazinecarbothioamide