CAS 730971-68-3

4-Phenoxybenzenecarbothioamide

Description:

4-Phenoxybenzenecarbothioamide, identified by its CAS number 730971-68-3, is an organic compound characterized by the presence of a phenoxy group and a carbothioamide functional group. This compound typically exhibits properties associated with both aromatic and thioamide functionalities, which can influence its reactivity and solubility. The phenoxy group contributes to its potential as a ligand in coordination chemistry, while the carbothioamide moiety may impart biological activity, making it of interest in medicinal chemistry. The compound is likely to be a solid at room temperature, with moderate solubility in organic solvents due to its aromatic nature. Its chemical structure suggests potential for hydrogen bonding and dipole interactions, which can affect its physical properties and reactivity. Additionally, compounds of this type may exhibit interesting thermal stability and could be explored for applications in pharmaceuticals or agrochemicals, depending on their specific biological activities. As with any chemical substance, safety data and handling precautions should be consulted before use.

Formula: C₁₃H₁₁NOS

InChI: InChI=1S/C13H11NOS/c14-13(16)10-6-8-12(9-7-10)15-11-4-2-1-3-5-11/h1-9H,(H2,14,16)

InChI key: InChIKey=XFNUGOFNHKOHEV-UHFFFAOYSA-N

SMILES: O(C1=CC=C(C(N)=S)C=C1)C2=CC=CC=C2

Synonyms:

• 4-Phenoxythiobenzamide
• Benzenecarbothioamide, 4-phenoxy-
• 4-Phenoxybenzenecarbothioamide