Description

1-Isothiocyanatobicyclo[1.1.1]pentane is a specialized bicyclic organic compound featuring a reactive isothiocyanate functional group. This unique structure makes it a valuable and versatile building block for the synthesis of novel chemical entities, particularly in medicinal chemistry and materials science. It is primarily sought after by researchers and process chemists in the pharmaceutical, agrochemical, and advanced materials industries for developing new active ingredients and functional polymers.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel drug candidates, particularly in fragment-based drug discovery and for creating sp3-rich, three-dimensional molecular scaffolds.
• Agrochemical Research: Used in the synthesis of new pesticides and herbicides, leveraging its bicyclo[1.1.1]pentane moiety as a bioisostere for aromatic rings or tert-butyl groups.
• Peptide & Protein Conjugation: The reactive isothiocyanate group allows for efficient coupling with amines, making it useful for bioconjugation and labeling applications.
• Materials Science: Serves as a monomer or cross-linking agent in the development of advanced polymers with specific thermal or mechanical properties.
• Chemical Probe Development: Employed in creating activity-based probes for studying enzyme function and biological pathways in chemical biology.
• Ligand Synthesis for Catalysis: Used to prepare novel ligands for transition metal catalysts, potentially leading to new asymmetric synthesis methodologies.

Basic Information

Product Name	1-Isothiocyanatobicyclo[1.1.1]pentane
CAS No.	2187435-29-4
Molecular Formula	C6H7NS
Molecular Weight	125.19 g/mol
Synonyms	Bicyclo[1.1.1]pentane-1-isothiocyanate; 1-Isothiocyanatobicyclo[1.1.1]pentane; 1-Isothiocyanatopentacyclo[1.1.1.0¹,³.0²,⁴.0³,⁵]pentane; BCP-NCS; [1.1.1]Propellane, 1-isothiocyanato-; 1-Isothiocyanato-[1.1.1]propellane
EINECS	Contact for details

Quality Control

Our 1-Isothiocyanatobicyclo[1.1.1]pentane is manufactured under strict quality control protocols to ensure high purity and batch-to-batch consistency, suitable for research and development applications. Each batch is accompanied by a comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles. We adhere to relevant industry standards, and custom purity grades or analytical specifications can be discussed to meet specific project requirements.

Storage

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

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95%
Water Content (KF)	≤ 0.5%

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