Description

1-Isothiocyanato-8-(Methylsulfenyl)-Octane is a specialized organosulfur compound featuring both isothiocyanate and methylsulfenyl functional groups on a linear octane 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 polymer modification.

Application

• Pharmaceutical Intermediate: Used in the research and synthesis of novel drug candidates, particularly those targeting enzymes or receptors where the isothiocyanate moiety can act as an electrophile.
• Agrochemical Synthesis: Serves as a key building block for developing new pesticides, herbicides, and fungicides with potential novel modes of action.
• Chemical Biology Probe: Utilized in proteomics and bio-conjugation studies to label and study proteins or other biomolecules due to the reactivity of the isothiocyanate group.
• Polymer & Material Science: Acts as a functional monomer or cross-linking agent for creating polymers with specific sulfur-containing functionalities, such as self-healing materials or adhesives.
• Flavor & Fragrance Precursor: Potential use in the controlled synthesis of sulfur-containing flavor compounds, given its structural similarity to natural products found in plants like garlic and mustard.
• Ligand & Catalyst Development: Employed in organometallic chemistry to create novel ligands for metal catalysts used in asymmetric synthesis.

Basic Information

Product Name	1-Isothiocyanato-8-(Methylsulfenyl)-Octane
CAS No.	4430-41-5
Molecular Formula	C10H19NS2
Molecular Weight	217.39 g/mol
Synonyms	8-(Methylthio)octyl isothiocyanate; 8-Methylsulfanyloctyl isothiocyanate; 1-Isothiocyanatooctane-8-thiol methyl ether; Octane, 1-isothiocyanato-8-(methylthio)-; 8-(Methylmercapto)octyl isothiocyanate; 8-Methylmercaptooctyl isothiocyanate; (8-Methylsulfanyloctyl) isothiocyanate
EINECS	Contact for details

Quality Control

Our 1-Isothiocyanato-8-(Methylsulfenyl)-Octane is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity assessment and NMR/IR for structural confirmation, to ensure it meets the high standards required for research and synthesis. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are available upon request to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (typically 15-25°C). Due to its properties of being easily oxidized, it is recommended to store under an inert atmosphere (e.g., nitrogen or argon) for long-term stability. Keep away from heat, sparks, and open flame.

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.