CAS 522606-41-3

5-[(4-ethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

Description:

5-[(4-ethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features a thiol group (-SH), which imparts specific reactivity and potential biological activity, particularly in the context of medicinal chemistry. The presence of the 4-ethylphenoxy and prop-2-en-1-yl substituents contributes to its lipophilicity and may influence its interaction with biological targets. The compound's structure suggests potential applications in agriculture, particularly as a fungicide or herbicide, due to the triazole moiety's known efficacy in inhibiting fungal sterol biosynthesis. Additionally, the thiol group may enhance its antioxidant properties. The compound's solubility, stability, and reactivity can be influenced by the substituents on the triazole ring, making it a subject of interest for further research in both synthetic and applied chemistry.

Formula: C₁₄H₁₇N₃OS

InChI: InChI=1/C14H17N3OS/c1-3-9-17-13(15-16-14(17)19)10-18-12-7-5-11(4-2)6-8-12/h3,5-8H,1,4,9-10H2,2H3,(H,16,19)

SMILES: C=CCn1c(COc2ccc(CC)cc2)nnc1S

Synonyms:

• 4-Allyl-5-(4-ethyl-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol
• 4-Allyl-5-[(4-ethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
• 4H-1,2,4-triazole-3-thiol, 5-[(4-ethylphenoxy)methyl]-4-(2-propen-1-yl)-

4-Allyl-5-[(4-ethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol

CAS: 522606-41-3

Formula: C₁₄H₁₇N₃OS

Molecular weight: 275.3693

Ref: IN-DA00DAVP

4-allyl-5-[(4-ethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol

CAS: 522606-41-3

Formula: C₁₄H₁₇N₃OS

Purity: 95.0%

Molecular weight: 275.37

Ref: 10-F307768