Home » Products » Fine Chemicals » 2-Mercaptonaphtho[1,2-d]thiazole CAS 4845-64-1
Purity: ≥98%
Appearance: White to yellow-brown crystalline powder
Product Manager Email: emma@coreychem.com
| Product name | 2‑Mercaptonaphtho[1,2‑d]thiazole |
|---|---|
| Synonym | Naphtho[1,2‑d]thiazole‑2(1H)‑thione;1H‑benzo[e][1,3]benzothiazole‑2‑thione;2‑mercapto‑naphth[1,2‑d]thiazole |
| CAS NO. | 4845‑64‑1 |
| Appearance | White to yellow-brown crystalline powder |
| Purity | ≥98% |
| MF | C₁₁H₇NS₂ |
| MW | 217.31 |
| MDL Number | MFCD00155154 |
| Related categories | Heterocyclic compounds; Naphthothiazole derivatives; Sulfur‑containing intermediates; Organic fine‑chemical raw materials |
| Transport Information | GHS07 Warning, skin & eye irritant, non‑dangerous goods for transportation |
| HS Code | 2934200090 |
| Melting point | 254℃ (predicted) |
| Boiling point | 413.7℃ at 760 mmHg (predicted) |
| Density | 1.46 g/cm³ (predicted) |
| Solubility | Insoluble in water; soluble in dilute alkaline aqueous solution, acetone, hot ethanol and ethyl acetate |
| Product Manager Email | emma@coreychem.com |
Frequently Asked Questions(FAQ)
Question 1:What is 2‑Mercaptonaphtho[1,2‑d]thiazole (CAS 4845‑64‑1)?
Answer: It is a fused‑ring sulfur‑nitrogen heterocyclic compound with naphthothiazole skeleton. It exists mainly in thione‑thiol tautomeric form. The reactive‑SH (thiol) group is attached to the 2‑position of naphthothiazole ring. Compared with ordinary 2‑mercaptobenzothiazole, it has extended conjugated π‑system from naphthalene ring. It is widely used as building block for medicinal‑chemistry research, metal‑ion chelating material and laboratory‑level auxiliary‑agent exploration.
Question 2:What are its key physicochemical properties and daily operation precautions?
Answer: At room temperature, it appears as yellow‑brown crystalline powder. It hardly dissolves in water, while dissolves in polar organic solvents and dilute alkali liquor. Its melting point reaches about 254 ℃, showing good thermal stability under normal processing temperature range. During lab handling, fine powder may irritate eyes, skin and respiratory tract. Operators should wear dust‑proof mask, goggles and chemical‑resistant gloves. Avoid mixing with strong oxidants; oxidation will generate disulfide impurities and reduce product quality. Do not heat excessively to prevent releasing toxic sulfur‑containing fumes.
Question 3:What kinds of application scenarios can this chemical be applied to?
Answer: It covers three major research‑oriented application directions. First, pharmaceutical‑chemistry intermediate for constructing naphthothiazole pharmacophore, applied for screening anti‑inflammatory, antibacterial and antitumor lead molecules. Second, functional‑material research: its thiol‑containing fused‑ring structure can coordinate with heavy‑metal ions, so it is used to develop fluorescent‑recognition probes and corrosion‑inhibitor samples. Third, exploratory research of rubber‑vulcanization auxiliary; most usages remain at laboratory‑formula‑screening stage rather than large‑scale industrial production.
Question 4:How to handle powder leakage and accidental human‑body contact?
Answer: For powder spillage, collect solid substance with dry inert tools, do not sweep by compressed air to avoid dust inhalation risk; seal waste into special chemical‑waste container. Upon skin contact, rinse exposed skin with plenty of soapy running water. If powder enters eyes, keep flushing eyes continuously for at least 10 minutes and seek medical treatment timely. Once large‑amount dust is inhaled, move operator to well‑ventilated fresh‑air environment. Do not pour raw‑material waste directly into sewer; sulfur‑containing fused‑ring organics may bring potential aquatic‑organism hazards.
Question 5:What typical reaction partners and conditions can produce downstream derivatives?
Answer: The 2‑position thiol/thione group is the core reactive site. Under weak‑alkaline condition with potassium carbonate as acid‑binding agent, in acetone or DMF solvent at 50‑80 ℃, it can carry out nucleophilic substitution reaction with halogen‑substituted aromatic compounds, alkyl halides or acyl‑halide reagents to get various thioether‑type naphthothiazole derivatives. Under mild oxidizing environment such as hydrogen peroxide solution, it can be converted to disulfide‑linked dimeric naphthothiazole compound. Too‑high reaction temperature will trigger ring‑decomposition side‑reactions, so temperature control is critical.
Application 1: What is its function in pharmaceutical synthesis?
Answer: It provides high-value naphthothiazole pharmacophore for new drug development. Its adjustable mercapto group and large conjugated structure help synthesize antibacterial, anti-inflammatory and anti-tumor candidate compounds, improving molecular activity and structural diversity.
Application 2: What role does it play in organic synthesis?
Answer: It is a professional fused-ring building block. It supports multi-directional chemical modification including substitution and oxidation, helping researchers quickly build complex naphthothiazole compound libraries without tedious ring closure reactions.
Application 3: Why are its derivatives better for drug screening?
Answer: The extended conjugated naphthalene structure enhances molecular lipophilicity and target binding force. The mercapto modification can effectively adjust compound stability and selectivity, making derivatives more suitable for in vitro activity screening and optimization.
Application 4: What is its value in functional materials?
Answer: It has excellent metal coordination performance and can be used to prepare fluorescent sensing probes for heavy metal ion detection. It can also be applied in the research of metal corrosion inhibitors and functional polymer additives.
Application 5: Does it have extended application fields?
Answer: Yes. In addition to medicine and chemical synthesis, it can also be used for agrochemical lead compound screening and dye intermediate research, providing new structural choices for green pesticide and fine material development.
100g/bag;
1kg/bag;
25kg/drum;
Packaging according to customer requirements.
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Storage: Store in tightly‑sealed container, keep in dry, dark and well‑ventilated room‑temperature warehouse. Avoid damp environment, high‑temperature storage and direct sunlight. Keep separate from strong oxidants, strong acid reagents. Long‑term damp storage will cause partial thiol oxidation and form disulfide impurities, affecting product purity. No special low‑temperature storage requirement.
Transport: It belongs to irritant chemical goods, not dangerous explosive goods. During transportation, keep packages intact, prevent package breakage and powder leakage. Avoid mixing transport with strong oxidizing substances. Keep away from direct sunshine and rain‑soaking. It is stable under normal transport temperature; cold‑chain transportation is not required.
For further information about the product, please contact:
Product Manager Email: emma@coreychem.com