Description

Bicyclo[1.1.1]pentan-1-yl(phenyl)sulphane is a specialized organosulfur compound featuring the unique and highly strained bicyclo[1.1.1]pentane (BCP) cage structure. This compound is a valuable synthetic intermediate, prized for its ability to act as a bioisostere for a para-substituted benzene ring or an alkyne, enabling the modulation of physicochemical properties in drug discovery. It is primarily utilized by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients.

Application

• Pharmaceutical Intermediate: Key building block for incorporating the BCP cage into drug candidates to improve metabolic stability, solubility, and membrane permeability.
• Medicinal Chemistry Research: Used in the exploration of structure-activity relationships (SAR) to develop new therapeutic agents.
• Agrochemical Synthesis: Intermediate in the development of novel pesticides and herbicides with enhanced efficacy and environmental profiles.
• Material Science Precursor: Potential starting material for synthesizing advanced polymers or ligands with unique steric and electronic properties.
• Cross-Coupling Reactions: Serves as a substrate in various metal-catalyzed cross-coupling reactions to form new carbon-carbon bonds.

Basic Information

Product Name	Bicyclo[1.1.1]pentan-1-yl(phenyl)sulphane
CAS No.	98585-81-0
Molecular Formula	C11H12S
Molecular Weight	176.28 g/mol
Synonyms	Phenyl(1-bicyclo[1.1.1]pentanyl)sulfane; (Bicyclo[1.1.1]pentan-1-yl)(phenyl)sulfane; 1-(Phenylthio)bicyclo[1.1.1]pentane; BCP-Thioanisole; Bicyclo[1.1.1]pentyl phenyl sulfide; BCP-SPh; (1-Bicyclo[1.1.1]pentanyl)(phenyl)sulfide
EINECS	Contact for details

Quality Control

Our Bicyclo[1.1.1]pentan-1-yl(phenyl)sulphane is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing to ensure high purity and consistency, meeting the stringent requirements of research and development applications. A detailed Certificate of Analysis (COA) providing purity, identity, and impurity profile is supplied with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) at controlled room temperature (15-25°C) in a cool, dry, and well-ventilated place. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 0.5%

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