CAS 1233505-72-0

2-Chloro-5-nitrobenzenecarbothioamide

Description:

2-Chloro-5-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 candidate for nucleophilic substitution reactions. The nitro group, being an electron-withdrawing group, enhances the electrophilicity of the aromatic ring, which can influence its reactivity in various chemical transformations. The carbothioamide functional group contributes to the compound's potential as a ligand in coordination chemistry and may exhibit biological activity, making it of interest in medicinal chemistry. This compound is typically solid at room temperature and may have specific solubility characteristics depending on the solvent used. Its synthesis and applications can be explored in fields such as pharmaceuticals, agrochemicals, and materials science. Safety precautions should be taken when handling this compound, as it may pose health risks due to its chemical nature.

Formula: C₇H₅ClN₂O₂S

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

InChI key: InChIKey=FDVZHVJSRTUEMJ-UHFFFAOYSA-N

SMILES: C(N)(=S)C1=CC(N(=O)=O)=CC=C1Cl

Synonyms:

• 2-Chloro-5-nitrobenzenecarbothioamide
• Benzenecarbothioamide, 2-chloro-5-nitro-