Description

1H-Pyrazole,3-Isothiocyanato-1-Methyl-(9Ci) is a specialized heterocyclic building block of significant interest in advanced organic synthesis. Its core value lies in the reactive isothiocyanate functional group, which enables the efficient construction of thiourea and thiosemicarbazide derivatives. This compound is primarily needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the development of novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key synthon for the synthesis of novel drug candidates, particularly those targeting enzyme inhibition or receptor modulation.
• Agrochemical Research: Used in creating new classes of herbicides, fungicides, or insecticides by incorporating the pyrazole-thiourea pharmacophore.
• Chemical Biology Probe Development: Serves as a versatile linker for bioconjugation and the preparation of activity-based protein profiling (ABPP) reagents.
• Material Science: Potential monomer or cross-linking agent in the synthesis of polymers with specific thermal or chemical resistance properties.
• Academic & Contract Research: Employed in methodological studies and discovery chemistry within university and CRO (Contract Research Organization) laboratories.

Basic Information

Product Name	1H-Pyrazole,3-Isothiocyanato-1-Methyl-(9Ci)
CAS No.	114874-28-1
Molecular Formula	C5H5N3S
Molecular Weight	139.18 g/mol
Synonyms	3-Isothiocyanato-1-methyl-1H-pyrazole; 1-Methyl-3-isothiocyanato-1H-pyrazole; 1-Methyl-1H-pyrazole-3-isothiocyanate; 1-Methylpyrazole-3-isothiocyanate; 3-Isothiocyanato-1-methylpyrazole; Pyrazole, 3-isothiocyanato-1-methyl- (9CI); 114874-28-1
EINECS	Contact for details

Quality Control

Our 1H-Pyrazole,3-Isothiocyanato-1-Methyl-(9Ci) is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity and NMR for structural confirmation, to ensure it meets the high standards required for research and development. Certificates of Analysis (COA) detailing batch-specific results are available upon request to support your quality assurance and regulatory documentation.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 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.