CAS 50616-44-9: 2-[[3-[2-(1-Methylethoxy)phenyl]-1H-1,2,4-triazol-5-yl]thio]acetic acid

Description: 2-[[3-[2-(1-Methylethoxy)phenyl]-1H-1,2,4-triazol-5-yl]thio]acetic acid, with CAS number 50616-44-9, is a chemical compound characterized by its complex structure, which includes a triazole ring and a thioether linkage. This substance typically exhibits properties associated with both acidic and aromatic compounds, making it potentially useful in various chemical applications, including pharmaceuticals and agrochemicals. The presence of the triazole moiety suggests that it may have biological activity, possibly acting as a fungicide or herbicide. Additionally, the methylethoxy group contributes to its lipophilicity, which can influence its solubility and permeability in biological systems. The compound's functional groups may also allow for interactions with specific biological targets, enhancing its efficacy in intended applications. Overall, this compound's unique structural features and potential reactivity make it a subject of interest in chemical research and development.

Formula: C₁₃H₁₅N₃O₃S

InChI: InChI=1S/C13H15N3O3S/c1-8(2)19-10-6-4-3-5-9(10)12-14-13(16-15-12)20-7-11(17)18/h3-6,8H,7H2,1-2H3,(H,17,18)(H,14,15,16)

InChI key: InChIKey=PKQRPTBQWYLOJD-UHFFFAOYSA-N

SMILES: O=C(O)CSC1=NN=C(N1)C=2C=CC=CC2OC(C)C

Synonyms:

• [5-(2-Isopropoxy-phenyl)-4H-[1,2,4]triazol-3-yl-sulfanyl]acetic acid
• [5-(2-Isopropoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid
• Acetic acid, 2-[[3-[2-(1-methylethoxy)phenyl]-1H-1,2,4-triazol-5-yl]thio]-
• 2-[[3-[2-(1-Methylethoxy)phenyl]-1H-1,2,4-triazol-5-yl]thio]acetic acid
• Acetic acid, [[5-[2-(1-methylethoxy)phenyl]-1H-1,2,4-triazol-3-yl]thio]-

2-{[5-(2-Isopropoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}acetic acid

CAS: 50616-44-9

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• Formula: C₁₃H₁₅N₃O₃S
• Purity: Min. 95%
• Molecular weight: 293.34 g/mol