CAS 1187305-85-6

3-Chloro-4-nitrobenzenecarbothioamide

Description:

3-Chloro-4-nitrobenzenecarbothioamide is an organic compound characterized by the presence of a chloro group, a nitro group, and a carbothioamide functional group attached to a benzene ring. The chloro group introduces reactivity, making it a potential electrophile in various chemical reactions. The nitro group, known for its electron-withdrawing properties, can influence the compound's reactivity and stability, often enhancing its acidity. The carbothioamide moiety contributes to the compound's potential as a thiol derivative, which may exhibit unique biological activities. This compound is typically a solid at room temperature and may be soluble in organic solvents, depending on its specific structure and substituents. Its applications may span across fields such as pharmaceuticals, agrochemicals, and materials science, where it could serve as an intermediate in the synthesis of more complex molecules. Safety data should be consulted for handling, as the presence of chlorine and nitro groups may pose health and environmental risks.

Formula: C₇H₅ClN₂O₂S

InChI: InChI=1S/C7H5ClN2O2S/c8-5-3-4(7(9)13)1-2-6(5)10(11)12/h1-3H,(H2,9,13)

InChI key: InChIKey=YBOUWMKNHWGZKH-UHFFFAOYSA-N

SMILES: C(N)(=S)C1=CC(Cl)=C(N(=O)=O)C=C1

Synonyms:

• 3-Chloro-4-nitrobenzenecarbothioamide
• Benzenecarbothioamide, 3-chloro-4-nitro-
• 3-Chloro-4-nitrobenzene-1-carbothioamide