Description

1-Hexane-D13-Thiol is a deuterium-labeled analog of hexanethiol, where thirteen hydrogen atoms are replaced by deuterium. This compound is essential for research and development requiring precise isotopic labeling for mechanistic studies and analytical method development. It is particularly valuable for scientists in the fields of pharmaceutical research, material science, and analytical chemistry who utilize Nuclear Magnetic Resonance (NMR) spectroscopy, mass spectrometry, or kinetic isotope effect studies.

Application

• Internal Standard for Analytical Chemistry: Used as a quantitative reference standard in Gas Chromatography-Mass Spectrometry (GC-MS) and Liquid Chromatography-Mass Spectrometry (LC-MS) for the accurate analysis of thiols and related compounds.
• NMR Spectroscopy Solvent & Reagent: Serves as a deuterated reagent or shift reference in NMR studies to eliminate interfering proton signals and simplify spectral interpretation.
• Mechanistic & Kinetic Studies: Employed in kinetic isotope effect (KIE) experiments to investigate reaction pathways and mechanisms in organic and organometallic chemistry.
• Pharmaceutical Research: Utilized in the synthesis and metabolic tracing of deuterated drug candidates to enhance metabolic stability and study absorption, distribution, metabolism, and excretion (ADME).
• Material Science Research: Acts as a surface-modifying agent or chain-transfer agent in the synthesis of specialized polymers and nanomaterials where isotopic labeling is required for tracking.
• Geochemical & Environmental Tracing: Applied as a tracer in sophisticated environmental fate studies and geochemical modeling.

Basic Information

Product Name	1-Hexane-D13-Thiol
CAS No.	1142922-50-6
Molecular Formula	C6D13SH
Molecular Weight	121.28 g/mol (approx.)
Synonyms	Hexanethiol-d13; 1-Hexanethiol-d13; Deuterated Hexanethiol; Perdeuteriohexyl Mercaptan; n-Hexyl-d13 Mercaptan; D13-Hexanethiol; n-Hexyl-d13 Thiol; [D13]Hexane-1-thiol
EINECS	Contact for details

Quality Control

Every batch of 1-Hexane-D13-Thiol is produced and analyzed under strict quality protocols to ensure high isotopic purity and chemical integrity. Our quality assurance includes comprehensive analysis via NMR, GC-MS, and HPLC to confirm deuterium enrichment and chemical purity. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting the specific batch results.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) at 2-8°C to minimize oxidation and degradation. Keep away from heat, sparks, and open flames. The container must be kept in a cool, well-ventilated place.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (NMR)	Conforms to structure
Purity (GC)	≥ 98.0%
Isotopic Purity (D-content)	≥ 99 atom % D
Water Content (KF)	≤ 0.5%

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