Description

5-Isothiocyanatopentylbenzene is a specialized organic compound featuring a reactive isothiocyanate group linked via a pentyl spacer to a benzene ring. This unique structure makes it a valuable bifunctional building block for synthesizing complex molecules, particularly in pharmaceutical and agrochemical research. It is primarily used by R&D chemists and process development scientists in the life sciences sector for creating novel chemical entities and intermediates.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of potential drug candidates, especially those targeting specific enzymes or receptors.
• Agrochemical Research: Used in the development of novel herbicides, fungicides, or plant growth regulators.
• Bioconjugation & Probe Synthesis: The reactive isothiocyanate group allows for covalent attachment to amines in proteins, peptides, or other biomolecules to create fluorescent probes or affinity labels.
• Material Science: Serves as a monomer or cross-linking agent in the development of specialty polymers with tailored properties.
• Chemical Biology Tool: Utilized in activity-based protein profiling (ABPP) and other chemoproteomic applications to study enzyme function.
• Custom Synthesis & Contract Manufacturing: A critical starting material for custom synthesis projects requiring a specific aromatic-isothiocyanate linkage.

Basic Information

Product Name	5-Isothiocyanatopentylbenzene
CAS No.	133920-05-5
Molecular Formula	C12H15NS
Molecular Weight	205.32 g/mol
Synonyms	1-Isothiocyanato-5-phenylpentane; 5-Phenylpentyl isothiocyanate; Benzene, 5-isothiocyanatopentyl-; Pentylbenzene, 5-isothiocyanato-; (5-Phenylpentyl) isothiocyanate; 5-Phenylamyl isothiocyanate; NSC 405124
EINECS	Contact for details

Quality Control

Every batch of 5-Isothiocyanatopentylbenzene is produced and tested under a strict quality management system. We ensure high purity and batch-to-batch consistency through advanced analytical techniques including HPLC, GC, and NMR. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your quality and regulatory 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 (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	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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