Description

1-Isothiocyanato-8-(Methylsulfinyl)-Octane is a specialized organosulfur compound featuring both an isothiocyanate and a methylsulfinyl functional group on an eight-carbon chain. This unique bifunctional structure makes it a valuable intermediate for synthesizing novel bioactive molecules and advanced materials. It is primarily sought by research and development teams in the pharmaceutical, agrochemical, and specialty chemical industries for applications in drug discovery, crop protection, and the development of functional polymers.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of potential 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 sulfur-based functional groups for bioactivity.
• Chemical Biology Probe: Acts as a tool compound for protein labeling and activity-based protein profiling (ABPP) due to the electrophilic nature of the isothiocyanate group.
• Polymer Modification: Employed to introduce reactive sites or polar sulfoxide groups into polymer backbones, altering material properties like solubility and adhesion.
• Ligand Synthesis: Useful for creating complex ligands for catalysis or metal-organic frameworks (MOFs).
• Cross-linking Agent: Can function as a bifunctional cross-linker in the preparation of hydrogels or modified biomaterials.

Basic Information

Product Name	1-Isothiocyanato-8-(Methylsulfinyl)-Octane
CAS No.	75272-81-0
Molecular Formula	C10H19NOS2
Molecular Weight	233.39 g/mol
Synonyms	8-(Methylsulfinyl)-1-isothiocyanatooctane; 1-Isothiocyanato-8-methylsulfinyloctane; Octane, 1-isothiocyanato-8-(methylsulfinyl)-; 8-(Methylsulfinyl)octyl isothiocyanate; (8-Isothiocyanatooctyl)(methyl)sulfoxide
EINECS	Contact for details

Quality Control

Our 1-Isothiocyanato-8-(Methylsulfinyl)-Octane is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation by NMR and IR spectroscopy, to ensure it meets the high standards required for research and development. A Certificate of Analysis (COA) detailing all specifications 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 nature, the container must be kept tightly sealed to exclude moisture. Keep away from heat and incompatible materials.

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.