Description

5-(1,5-Dimethyl-1H-Pyrazol-3-Yl)-4-Isobutyl-4H-[1,2,4]Triazole-3-Thiol CAS NO 512810-96-7 is a specialized heterocyclic compound featuring a fused triazole-thiol core, a structure of significant interest in advanced organic synthesis. This molecule serves as a versatile and high-value chemical building block for the development of novel active ingredients. It is primarily sought by pharmaceutical research and agrochemical development teams for creating new drug candidates and crop protection agents.

Application

This compound is a key intermediate in the synthesis of molecules with potential biological activity. Its primary applications include:

• Pharmaceutical Intermediate: Serves as a core scaffold for the research and development of new therapeutic agents, particularly in oncology and anti-infective drug discovery.
• Agrochemical Synthesis: Used in the creation of novel fungicides, herbicides, and insecticides, leveraging the bioactivity of the triazole-thiol moiety.
• Ligand in Catalysis: Acts as a precursor for nitrogen-sulfur donor ligands in transition metal catalysis for specialized chemical transformations.
• Material Science Research: Investigated as a monomer or additive for the synthesis of polymers with specific electronic or thermal properties.
• Chemical Biology Probe: Utilized in academic and industrial research to study enzyme inhibition and protein-ligand interactions.

Basic Information

Product Name	5-(1,5-Dimethyl-1H-Pyrazol-3-Yl)-4-Isobutyl-4H-[1,2,4]Triazole-3-Thiol
CAS No.	512810-96-7
Molecular Formula	C11H17N5S
Molecular Weight	251.35 g/mol
Synonyms	4-Isobutyl-5-(1,5-dimethyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol; 4H-1,2,4-Triazole-3-thiol, 5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-; 5-(1,5-Dimethylpyrazol-3-yl)-4-isobutyl-1,2,4-triazole-3-thiol; 512810-96-7; AKOS025247315; CTK8G7555; ZINC000257319509; STL283201
EINECS	Contact for details

Quality Control

Our production of 5-(1,5-Dimethyl-1H-Pyrazol-3-Yl)-4-Isobutyl-4H-[1,2,4]Triazole-3-Thiol adheres to a strict quality management system. Every batch undergoes rigorous analytical testing, including HPLC for purity and NMR for structural confirmation, to ensure consistency and meet the exacting standards required for research and development. Comprehensive Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). This material is moisture-sensitive; keep the container tightly sealed when not in use to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 97.0%
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.