CAS 667414-35-9

4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol

Description:

4-Methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-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 contributes to its reactivity and potential applications in various chemical reactions. The presence of a phenoxy group, specifically a 4-(propan-2-yl)phenoxy moiety, indicates that it has a bulky substituent that can influence its solubility and interaction with biological targets. The methyl group at the 4-position of the triazole ring may enhance its lipophilicity and stability. This compound is of interest in medicinal chemistry and agricultural applications, particularly as a potential fungicide or herbicide, due to its ability to interact with specific biological pathways. Its unique structure allows for various modifications, which can lead to derivatives with enhanced efficacy or selectivity. As with many triazole derivatives, it may also exhibit antifungal properties, making it relevant in the development of pharmaceuticals.

Formula: C₁₃H₁₇N₃OS

InChI: InChI=1/C13H17N3OS/c1-9(2)10-4-6-11(7-5-10)17-8-12-14-15-13(18)16(12)3/h4-7,9H,8H2,1-3H3,(H,15,18)

SMILES: CC(C)c1ccc(cc1)OCc1nnc(n1C)S

Synonyms:

• 4H-1,2,4-triazole-3-thiol, 4-methyl-5-[[4-(1-methylethyl)phenoxy]methyl]-
• 5-[(4-Isopropylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol

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

CAS: 667414-35-9

Formula: C₁₃H₁₇N₃OS

Purity: 95.0%

Molecular weight: 263.36

Ref: 10-F307769