Description

1-Isothiocyanato-7-(Methylsulfinyl)-Heptane is a specialized organosulfur compound featuring both isothiocyanate and methylsulfinyl functional groups on a linear heptane chain. This unique bifunctional structure makes it a valuable intermediate for synthesizing novel bioactive molecules and functional materials. It is primarily sought by researchers and developers in the pharmaceutical, agrochemical, and advanced materials sectors for applications in drug discovery, crop protection, and polymer modification.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of novel drug candidates, particularly those targeting enzymes or receptors where the isothiocyanate moiety can act as a reactive handle.
• Agrochemical Research: Used in the development of new pesticides and herbicides, leveraging its potential bioactivity as a starting point for structure-activity relationship (SAR) studies.
• Chemical Biology Probe: Serves as a precursor for creating activity-based probes (ABPs) to label and study specific proteins or enzymes in biological systems.
• Polymer & Material Science: Acts as a functional monomer or cross-linking agent for introducing sulfur-containing groups into polymers to modify properties like adhesion, thermal stability, or metal chelation.
• Ligand Synthesis: Utilized in the preparation of specialized ligands for catalysis or metal-organic frameworks (MOFs).

Basic Information

Product Name	1-Isothiocyanato-7-(Methylsulfinyl)-Heptane
CAS No.	129244-98-0
Molecular Formula	C9H17NOS2
Molecular Weight	219.36 g/mol
Synonyms	7-(Methylsulfinyl)-1-isothiocyanatoheptane; 7-(Methylsulfinyl)heptyl isothiocyanate; 1-Isothiocyanato-7-(methylsulfinyl)heptane; Heptane, 1-isothiocyanato-7-(methylsulfinyl)-; NSC 339586
EINECS	Contact for details

Quality Control

Our 1-Isothiocyanato-7-(Methylsulfinyl)-Heptane is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including chromatographic purity assessment and structural confirmation, to ensure it meets the high standards required for research and development applications. A Certificate of Analysis (COA) detailing specific results for purity, identity, and related substances is provided with every shipment.

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	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.