CAS 303145-63-3

Methyl 4-[(4-chloro-5H-1,2,3-dithiazol-5-ylidene)amino]benzoate

Description:

Methyl 4-[(4-chloro-5H-1,2,3-dithiazol-5-ylidene)amino]benzoate, identified by its CAS number 303145-63-3, is a chemical compound characterized by its unique structure that includes a methyl ester group and a substituted dithiazole moiety. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, which may influence its solubility, reactivity, and biological activity. The presence of the chloro and amino groups suggests potential for interactions in biological systems, possibly indicating antimicrobial or herbicidal activity. Its molecular structure allows for various functional group interactions, making it a candidate for applications in pharmaceuticals or agrochemicals. Additionally, the dithiazole ring contributes to its electronic properties, which can affect its stability and reactivity under different conditions. As with many synthetic compounds, safety data and handling precautions should be considered, particularly regarding its potential toxicity and environmental impact.

Formula: C₁₀H₇ClN₂O₂S₂

InChI: InChI=1S/C10H7ClN2O2S2/c1-15-10(14)6-2-4-7(5-3-6)12-9-8(11)13-17-16-9/h2-5H,1H3

InChI key: InChIKey=BNJYCSAKUHWDGQ-UHFFFAOYSA-N

SMILES: N(C1=CC=C(C(OC)=O)C=C1)=C2C(Cl)=NSS2

Synonyms:

• Methyl 4-[(4-chloro-5H-1,2,3-dithiazol-5-ylidene)amino]benzoate
• Benzoic acid, 4-[(4-chloro-5H-1,2,3-dithiazol-5-ylidene)amino]-, methyl ester
• METHYL 4-[(4-CHLORO-5H-1,2,3-DITHIAZOL-5-YLIDEN)AMINO]BENZENECARBOXYLATE