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CAS 15777-62-5

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5-Bromo-3-(methylthio)-1H-1,2,4-triazole

Description:
5-Bromo-3-(methylthio)-1H-1,2,4-triazole is a heterocyclic compound characterized by its triazole ring, which consists of three nitrogen atoms and two carbon atoms. The presence of a bromine atom at the 5-position and a methylthio group at the 3-position contributes to its unique chemical properties. This compound is typically a solid at room temperature and is soluble in organic solvents, reflecting its polar nature due to the electronegative bromine and sulfur atoms. It exhibits potential biological activity, making it of interest in pharmaceutical and agricultural research, particularly as a fungicide or herbicide. The compound's structure allows for various chemical reactions, including nucleophilic substitutions and coupling reactions, which can be exploited in synthetic chemistry. Additionally, its stability under standard conditions makes it suitable for various applications in organic synthesis and material science. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.
Formula:C3H4BrN3S
InChI:InChI=1S/C3H4BrN3S/c1-8-3-5-2(4)6-7-3/h1H3,(H,5,6,7)
InChI key:InChIKey=VPIIPESHRNBIQT-UHFFFAOYSA-N
SMILES:S(C)C=1NC(Br)=NN1
Synonyms:
  • s-Triazole, 3-bromo-5-(methylthio)-
  • 3-Bromo-5-methylsulfanyl-1H-[1,2,4]triazole
  • 1H-1,2,4-Triazole, 5-bromo-3-(methylthio)-
  • 5-Bromo-3-(methylthio)-1H-1,2,4-triazole
  • 1H-1,2,4-Triazole, 3-bromo-5-(methylthio)-
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