1 3 Benzothiazole 2 3h Thione
quinoline thiophene imidazole thiazole

1,3-benzothiazole-2(3H)-thione

Taiy Chemical

Specifications

HS Code

771864

Chemical Formula C7H5NS2
Molar Mass 167.25 g/mol
Appearance Yellow - orange solid
Melting Point 181 - 183 °C
Solubility In Water Insoluble
Solubility In Organic Solvents Soluble in many organic solvents like ethanol, acetone
Odor Faint sulfur - like odor
Stability Stable under normal conditions
Acidity Basicity Weakly acidic due to the presence of the thiol group
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General Information
Frequently Asked Questions
What are the main uses of 1,3-benzothiazole-2 (3H) -thione?
1% 2C3-naphthalene-pyrrole-2 (3H) -ketosuccinic acid, which has a wide range of uses. In the field of medicine, it is often a key raw material for the creation of new drugs. Due to its unique structure, it can be used by specific chemical reactions to access various active groups to develop drugs that have curative effects on specific diseases. For example, in the development of some anti-cancer drugs, its unique structure interacts with cancer cells and interferes with the growth and spread of cancer cells.
In materials science, 1% 2C3-naphthalene-pyrrole-2 (3H) -ketosuccinic acid is also used. It can participate in the synthesis of materials with special photoelectric properties for the manufacture of organic Light Emitting Diodes (OLEDs). Its structure allows the material to emit light efficiently under electrical excitation, enhancing the OLED display effect, such as enhancing color saturation and brightness.
Furthermore, in the field of organic synthesis, it is an important intermediate. With its active chemical properties, it can participate in a variety of reactions to synthesize complex organic compounds, providing organic synthesis chemists with an effective tool to construct new compounds, expand the structural diversity of organic compounds, and promote the development of organic synthesis chemistry.
What are the physical properties of 1,3-benzothiazole-2 (3H) -thione
1% 2C3-benzothiazole-2 (3H) -thione, this material has several properties. At room temperature, it is mostly solid, and its color may be light yellow or nearly light brown. It has a crystalline structure, and its texture may be powder or fine crystalline.
On its melting point, it is about a specific range. This value is the key to its characteristics. The authenticity of this substance can be identified by its melting point, and it is also an important end of its physical characterization. In terms of solubility, it dissolves very little in water. Due to its structural characteristics, its affinity with water is insufficient. However, in organic solvents, such as ethanol, acetone, etc., it has a certain solubility and can dissolve with it. This property is quite useful in chemical operations, extraction and separation.
Its density is also one of the physical properties. Although the value is not widely known, it also has its significance that cannot be ignored when it comes to chemical preparation and material balance. In addition, the smell of this product may have a faint and special smell. Although it is not strong and pungent, it is also unique. In the fields of fine chemicals, fragrance preparation, etc., this odor characteristic may add uniqueness to the product. Its physical properties are relevant to many industries such as chemical synthesis, pharmaceutical research and development, material preparation, etc., which can help researchers understand its performance and then reasonably apply it to various processes and products.
What are the chemical properties of 1,3-benzothiazole-2 (3H) -thione
1% 2C3 -benzothiazole-2 (3H) -one, this is an organic compound with the following chemical properties:
First, it is weakly acidic. In the molecular structure, the hydrogen atom connected to the nitrogen atom, due to the influence of adjacent carbonyl groups, the electron cloud density decreases, and there is a certain tendency to dissociate, which can weakly ionize hydrogen ions, so it is weakly acidic. Although its acidity is weak, in a specific alkaline environment, it can react with bases to form corresponding salts. For example, when encountering a sodium hydroxide solution, it can form sodium salts and water.
Second, it has the characteristics of a conjugated system. The compound molecule contains a benzene ring and a thiazole ring, and the two are conjugated together. This conjugated system gives it special optical and electrical properties. The conjugated structure causes the degree of delocalization of intramolecular electrons to increase, and the energy level interval becomes smaller. As a result, there is a characteristic absorption peak in the ultraviolet-visible region, which can be used for qualitative and quantitative analysis.
Third, the carbonyl group is active. The carbonyl group at the 2 (3H) -keto position has significant chemical reactivity. The carbon-oxygen double bond in the carbonyl group is due to the large electronegativity of the oxygen atom, resulting in a partially positive charge of the carbon atom, which is vulnerable to attack by nucleophiles. For example, when encountering alcohols, under the catalysis of acids or bases, a condensation reaction can occur to generate hemiketal or ketal products; when encountering Grignard reagents, the negatively charged hydrocarbons in the Grignard reagents will attack the carbonyl carbon atoms, and after subsequent hydrolysis, the corresponding alcohols will be generated.
Fourth, ring stability. The benzothiazole ring has a certain stability due to the conjugation effect, which reduces the energy of the system. However, under strong oxidation or strong reduction conditions, the ring structure will also be destroyed. In case of strong oxidants, some atoms on the ring may be oxidized, or ring-opening reactions may be triggered; in case of strong reducing agents, unsaturated bonds in the ring may be reduced.
What are the synthesis methods of 1,3-benzothiazole-2 (3H) -thione?
The synthesis of 1% 2C3-indinone-2 (3H) -carboxylic acid is a significant topic in the field of organic synthesis. This compound has potential applications in many fields such as medicinal chemistry and materials science, so it is essential to seek an efficient synthesis path. The following are common synthesis methods:
First, phthalic anhydride and corresponding aromatics are used as starting materials. First, phthalic anhydride and aromatic hydrocarbons are reacted with Fu-g acylation under specific catalysts and reaction conditions to form key intermediates. Then, through a series of reactions such as dehydration and loop closure, reduction, etc., the target product 1% 2C3-indanone-2 (3H) -carboxylic acid can be obtained. The raw materials for this route are relatively easy to obtain, and the reaction conditions of each step are relatively mild, so it is more commonly used in laboratory synthesis.
Second, a metal-catalyzed cyclization reaction strategy is adopted. Using suitable halogenated aromatics and alkenyl carboxylic acid derivatives as substrates, and catalyzed by metal catalysts such as palladium and nickel, the indanone skeleton is constructed through intramolecular cyclization. After that, the obtained product is converted into a suitable functional group, and a carboxyl group is introduced to achieve the synthesis of 1% 2C3-indanone-2 (3H) -carboxylic acid. This method has high atomic economy and can effectively construct complex molecular structures, but it requires harsh reaction conditions and catalysts.
Third, the Diels-Alder reaction is used as a key step. Select suitable conjugated dienes and dienophiles, form a six-membered cyclic intermediate through Diels-Alder reaction, and then gradually introduce the required functional groups through subsequent modifications and transformations to complete the synthesis of the target compound. This strategy can efficiently construct carbon-carbon bonds and provide a convenient way for synthesis.
There are various methods for synthesizing 1% 2C3-indanone-2 (3H) -carboxylic acid, each with its own advantages and disadvantages. In practical applications, appropriate synthesis methods should be selected according to specific requirements, such as raw material availability, reaction conditions, yield and purity requirements, etc., to achieve efficient and green synthesis goals.
What are the precautions for using 1,3-benzothiazole-2 (3H) -thione?
1% 2C3-benzofuran-2 (3H) -ketone is an organic compound. During use, all precautions must be kept in mind.
First safety protection. This compound may be toxic and irritating. When operating, be sure to wear appropriate protective equipment. Protective gloves are selected to effectively block the substance to prevent it from contacting the skin and causing skin allergies, burns and other diseases. Protective glasses are also indispensable to prevent it from splashing into the eyes and avoid eye damage. If it is accidentally splashed, rinse with plenty of water immediately and seek medical attention immediately. Masks should also be worn to prevent inhalation of its dust or volatile gaseous substances, and to prevent respiratory irritation and respiratory diseases such as cough and asthma.
Furthermore, pay attention to storage conditions. It should be stored in a cool, dry and well-ventilated place. If the temperature is too high, it may cause changes in its properties, accelerate decomposition or deterioration; if the humidity is too high, it may cause moisture decomposition and other conditions, which will affect its quality. And it needs to be kept away from fire sources and oxidants. Because it may be flammable, it is at risk of combustion and explosion in case of open flame, hot topic or oxidant.
When using, precise control of the dosage is also the key. According to the specific needs of the experiment or production, it can be measured with accurate measuring tools to achieve the desired effect, avoid waste, reduce costs, and prevent the subsequent reaction from getting out of control due to excessive dosage, or produce unnecessary by-products.
The ventilation of the operating environment cannot be ignored either. Good ventilation can discharge volatile harmful gases in time, maintain fresh air, and reduce the risk of operators inhaling harmful substances. If conditions permit, it is appropriate to operate in a fume hood to ensure the safety of the operating environment.
After taking it, properly seal and store the remaining compounds. Prevent air, moisture, etc. from contacting it to ensure its stability for subsequent use.