Description

4,6-Dichloro-1,3,5-triazine-2(1H)-thione (CAS No. 85665-55-0) is a highly specialized heterocyclic compound with the molecular formula C₃HCl₂N₃S. This chlorinated triazine derivative features a reactive thione group, making it a valuable intermediate in organic synthesis and pharmaceutical research. With an IUPAC name of 2,6-dichloro-1H-1,3,5-triazine-4-thione, this compound exhibits excellent electrophilic properties due to its electron-deficient triazine core and labile chlorine substituents. Available in high purity grades (≥95%), it is supplied as a crystalline solid with strict quality control for batch-to-batch consistency. Proper storage under inert atmosphere at 2-8°C is recommended to maintain stability. This reagent is particularly useful for nucleophilic substitution reactions, where it serves as a scaffold for constructing more complex nitrogen-containing heterocycles.

Properties

• CAS Number: 85665-55-0
• Complexity: 189
• IUPAC Name: 2,6-dichloro-1H-1,3,5-triazine-4-thione
• InChI: InChI=1S/C3HCl2N3S/c4-1-6-2(5)8-3(9)7-1/h(H,6,7,8,9)
• InChI Key: PVYNQUCHNJGHBG-UHFFFAOYSA-N
• Exact Mass: 180.9268236
• Molecular Formula: C3HCl2N3S
• Molecular Weight: 182.03
• SMILES: C1(=NC(=S)N=C(N1)Cl)Cl
• Topological: 68.8
• Monoisotopic Mass: 180.9268236
• Synonyms: 85665-55-0, 4,6-Dichloro-1,3,5-triazine-2(1H)-thione, EINECS 288-144-2, 2,6-dichloro-1H-1,3,5-triazine-4-thione, 675GCK0Q9T, 1,3,5-Triazine-2(5H)-thione,4,6-dichloro-, UNII-675GCK0Q9T, 1,3,5-Triazine-2(5H)-thione, 4,6-dichloro-, SCHEMBL4097317, SCHEMBL4097319, DTXSID20234921, PVYNQUCHNJGHBG-UHFFFAOYSA-N, 4,6-Dichloro-1,3,5-triazine-2-thiol, NS00039021

Application

4,6-Dichloro-1,3,5-triazine-2(1H)-thione serves as a key building block in medicinal chemistry for the development of triazine-based pharmaceuticals and agrochemicals. Its reactive chlorine atoms allow for sequential substitution to create diverse derivatives with tailored biological activities. Researchers utilize this compound as a precursor in the synthesis of antiviral and antibacterial agents targeting purine metabolism pathways. In material science, it functions as a crosslinking agent for polymers requiring heat-resistant properties.

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