CAS 669729-28-6

2,4-Dihydro-4-methyl-5-[4-(1-methylethyl)phenyl]-3H-1,2,4-triazole-3-thione

Description:

2,4-Dihydro-4-methyl-5-[4-(1-methylethyl)phenyl]-3H-1,2,4-triazole-3-thione, with the CAS number 669729-28-6, is a chemical compound that belongs to the class of triazoles, which are five-membered heterocyclic compounds containing three nitrogen atoms. This substance features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom, which contributes to its reactivity and potential biological activity. The compound's structure includes a methyl group and an isopropyl-substituted phenyl group, which may influence its solubility and interaction with biological systems. Typically, triazoles exhibit diverse pharmacological properties, including antifungal and herbicidal activities, making them of interest in agricultural and medicinal chemistry. The presence of multiple functional groups in this compound suggests potential for varied applications, though specific biological activities and properties would require empirical investigation. Safety data and handling precautions should be referenced from material safety data sheets (MSDS) or relevant regulatory sources when working with this compound.

Formula: C₁₂H₁₅N₃S

InChI: InChI=1S/C12H15N3S/c1-8(2)9-4-6-10(7-5-9)11-13-14-12(16)15(11)3/h4-8H,1-3H3,(H,14,16)

InChI key: InChIKey=IDGXTEBIKJEDRP-UHFFFAOYSA-N

SMILES: CN1C(=NNC1=S)C2=CC=C(C(C)C)C=C2

Synonyms:

• 2,4-Dihydro-4-methyl-5-[4-(1-methylethyl)phenyl]-3H-1,2,4-triazole-3-thione
• 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-[4-(1-methylethyl)phenyl]-
• 5-(4-Isopropylphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol

5-(4-isopropylphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol

CAS: 669729-28-6

Formula: C₁₂H₁₅N₃S

Purity: 95.0%

Molecular weight: 233.33

Ref: 10-F307731