Bis(1-benzotriazolyl)methanethione
Bis(1-benzotriazolyl)methanethione (CAS: 4314-19-6; C13H8N6S) is a chemical reagent with a molecular weight of 280.31 g/mol. It is primarily utilised as a thioacylating agent and finds application in various organic synthesis pathways. This compound plays a role in multicomponent heterocyclization reactions, the synthesis of substituted thiosemicarbazides, and the guanylation of amines, making it a valuable tool for synthetic chemists.
- IUPAC
- 1,1′-(Thiocarbonyl)bis-1H-benzotriazole
Thioacylating Agent
Bis(1-benzotriazolyl)methanethione serves as an effective thioacylating agent in organic synthesis. It facilitates the introduction of thioacyl groups into various organic molecules.
Multicomponent Heterocyclization Reactions
This reagent is involved in multicomponent heterocyclization reactions. These reactions are useful for constructing complex heterocyclic structures efficiently in a single step.
Synthesis of Thiosemicarbazides and N-hydroxythioureas
The compound is used in the synthesis of substituted thiosemicarbazides and N-hydroxythioureas. These derivatives are often intermediates in the synthesis of pharmaceuticals and agrochemicals.
Guanylation of Amines
Bis(1-benzotriazolyl)methanethione participates in the guanylation of amines. This process is important for the synthesis of guanidine-containing compounds, which have diverse biological activities.
| Molecular weight | 280.31 |
|---|---|
| Empirical formula | C13H8N6S |
| Assay | 97% |
| Storage temperature | 2-8°C |
| Application | New Benzotriazole ReagentsReactant used as a thioacylating agent1,2Reactant involved in:• Multicomponent heterocyclization reactions3• Synthesis of substituted thiosemicarbazides and N-hydroxythioureas4• Guanylation of amines5 |
| Melting point | 170-174 °C(lit.) |
Hazard statements
- H302Harmful if swallowed
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P305IF IN EYES
| Protective equipment | dust mask type N95 (US), Eyeshields, Gloves |
|---|---|
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 22-36/37/38 |
| Safety statements (S) | 26-36 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is Bis(1-benzotriazolyl)methanethione used for?
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Bis(1-benzotriazolyl)methanethione is used as a thioacylating agent in organic synthesis. It is involved in multicomponent heterocyclization reactions, the synthesis of substituted thiosemicarbazides and N-hydroxythioureas, and the guanylation of amines.
What are the CAS number and molecular formula for Bis(1-benzotriazolyl)methanethione?
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The CAS number for Bis(1-benzotriazolyl)methanethione is 4314-19-6, and its molecular formula is C13H8N6S.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies Bis(1-benzotriazolyl)methanethione with a minimum assay of 97%. We do not represent this product as USP, BP, or EP grade. For research or technical applications, this purity is typically suitable.
What are the main safety concerns when handling Bis(1-benzotriazolyl)methanethione?
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Bis(1-benzotriazolyl)methanethione is a Warning substance (GHS07) and is classified with hazards H302 (Harmful if swallowed), H315 (Causes skin irritation), H319 (Causes serious eye irritation), and H335 (May cause respiratory irritation). Appropriate personal protective equipment, including a dust mask type N95 (US), eyeshields, and gloves, should be used. Handle in a well-ventilated area.
How is Bis(1-benzotriazolyl)methanethione typically stored and shipped?
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Bis(1-benzotriazolyl)methanethione should be stored at 2-8°C. As a chemical supplier and exporter, Tech Serve Solutions adheres to all relevant regulations for the safe packing, shipping, and exporting of this compound.
How can I request a quote or sample of Bis(1-benzotriazolyl)methanethione?
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To request a quote or a sample of Bis(1-benzotriazolyl)methanethione, please use the contact form on our website or call our sales department, providing your details and the product's CAS number (4314-19-6).
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