5-(4-Hydroxyphenyl)-3H-1,2-dithiole-3-thione CAS 18274-81-2 98% Yellow to Brown Crystalline Powder API Impurity Standard HS Donor Reference

1. Product Overview

5-(4-Hydroxyphenyl)-3H-1,2-dithiole-3-thione (CAS: 18274-81-2), also known as Desmethylanethol Trithione or ADT-OH, is a phenolic dithiolethione derivative supplied as a yellow to brown crystalline powder. It is the demethylated metabolite of anethole trithione (ADT) and acts as a hydrogen sulfide (H₂S) donor in biochemical studies. This compound is commonly used as a reference standard for anethole trithione impurity profiling and as a research tool in oxidative stress, Nrf2 pathway activation, and cytoprotection studies. Each lot is accompanied by a CoA including HPLC assay, ¹H NMR, and LC-MS verification.

2. Key Features and Advantages

• High Purity: ≥98.0% (HPLC), suitable for analytical and pharmacological research

• Fully Characterized: Confirmed by ¹H NMR, ¹³C NMR, and HRMS/LC-MS; CoA provided per batch

• Biological Relevance: Well-documented H₂S-releasing donor; used in Nrf2/ARE pathway and antioxidant mechanism studies

• Low Residual Solvents: Controlled residual solvents and moisture per ICH Q3 guidelines

• Flexible Packaging: Available in 5 mg / 10 mg / 25 mg / 50 mg / 100 mg / 250 mg / 500 mg / 1 g; amber glass vial, N₂ flush on request

• Batch Traceability: Individually lot-numbered with retained sample for re-test

3. Main Applications

• API Impurity / Degradation Standard: Reference material for anethole trithione (ADT) impurity profiling, HPLC method development, and specificity studies

• Pharmacological Research: H₂S donor used in studies on Nrf2 pathway activation, glutathione modulation, and cytoprotective mechanisms

• Oxidative Stress & Inflammation Models: Investigated for chemopreventive and anti-inflammatory properties in cellular and animal models

• Analytical Method Validation (AMV): Supports ANDA/DMF filing as a characterized impurity reference

4. Technical Specifications

5. Storage and Handling

• Recommended Storage: Store at –20 °C or 2–8 °C in a tightly sealed, light-protected amber vial under inert atmosphere (N₂ or Ar). Protect from moisture and prolonged light exposure.

• Stability: Stable under dry, cool, dark conditions. Sensitive to light and humidity; the phenolic OH may oxidize slowly upon prolonged air exposure.

• Handling Precautions: Use in a well-ventilated area or fume hood. Wear nitrile gloves, safety goggles, and a lab coat. Avoid dust generation.

• Reconstitution: Dissolve in dry DMSO or DMF for stock solutions; prepare fresh when possible to minimize oxidation.

• Shelf Life: 24 months from date of manufacture when stored as recommended.

6. Safety Overview

• GHS Classification: GHS07 – Warning

• H-Statements: H315 – Causes skin irritation; H319 – Causes serious eye irritation; H335 – May cause respiratory irritation

• P-Statements: P261 – Avoid breathing dust; P264 – Wash hands after handling; P270 – Do not eat/drink/smoke when using; P280 – Wear protective gloves/eye protection; P305+P351+P338 – IF IN EYES: rinse cautiously with water; P501 – Dispose of contents/container per local regulations

• First Aid:

• Skin: Remove contaminated clothing, wash with plenty of soap and water. Seek medical attention if irritation persists.

• Eyes: Rinse immediately with flowing water ≥15 min; seek medical advice.

• Inhalation: Move to fresh air; if breathing difficulty occurs, seek medical help.

• Ingestion: Rinse mouth; do NOT induce vomiting. Seek medical advice.

• Transport: Not classified as dangerous goods for transport (non-hazardous per IMDG/IATA/DOT).

• Disposal: Dispose as hazardous chemical waste in compliance with local and national regulations.

Pls input...