Description

o-Benzyl-S-(Methyl-D3)-3-Thioacetaminophen CAS NO 1184990-56-4 is a high-purity, deuterated organic intermediate of significant importance in advanced pharmaceutical research and development. Its core value lies in its role as a stable isotope-labeled building block, enabling precise metabolic and pharmacokinetic studies. This compound is primarily needed by R&D chemists and process development scientists in the pharmaceutical, biotechnology, and contract research sectors for the synthesis of novel drug candidates and analytical standards.

Application

• Pharmaceutical Intermediate: Critical building block for the synthesis of deuterated drug molecules, leveraging the kinetic isotope effect for improved metabolic stability.
• Metabolic Pathway Tracer: Used in the development of internal standards for Liquid Chromatography-Mass Spectrometry (LC-MS) to accurately quantify drug metabolites in biological matrices.
• Drug Discovery Research: Enables the creation of isotopically labeled analogs for mechanistic studies and patent protection of new chemical entities.
• Reference Standard Production: Serves as a precursor for certified reference materials (CRMs) used in quality control and regulatory compliance testing.
• Isotope Labeling Services: A key reagent for contract research organizations (CROs) and fine chemical suppliers offering custom deuterium labeling.
• Academic Research: Utilized in university and institutional labs for fundamental studies in organic synthesis and medicinal chemistry.

Basic Information

Product Name	o-Benzyl-S-(Methyl-D3)-3-Thioacetaminophen
CAS No.	1184990-56-4
Molecular Formula	C16H14D3NO2S
Molecular Weight	288.40 g/mol
Synonyms	2-[(Benzylsulfanyl)(trideuteriomethyl)amino]phenol; N-(2-Hydroxyphenyl)-S-benzyl-N-(trideuteriomethyl)sulfimide; o-Benzyl-S-(Methyl-d3)-3-thioacetaminophen; Deuterated Thioacetaminophen Derivative; (Methyl-d3)-o-benzylthioacetaminophen; Benzyl (2-hydroxyphenyl)(trideuteriomethyl)sulfimidate; S-Benzyl-N-(2-hydroxyphenyl)-N-(trideuteriomethyl)sulfimide
EINECS	Contact for details

Quality Control

Our o-Benzyl-S-(Methyl-D3)-3-Thioacetaminophen is manufactured under strict quality management systems to ensure batch-to-batch consistency and high isotopic purity. Each lot undergoes comprehensive analytical characterization, including NMR (¹H, ¹³C) for structural confirmation and deuterium incorporation, HPLC for chemical purity, and Mass Spectrometry for isotopic enrichment verification. Certificates of Analysis (COA) detailing all specifications are provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed in a desiccated environment to prevent degradation. For long-term storage, consider using an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (D-content, MS)	≥ 99.0 atom % D
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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