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CAS 45534-08-5

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5-(Methylthio)-1H-1,2,4-triazol-3-amine

Description:
5-(Methylthio)-1H-1,2,4-triazol-3-amine is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a methylthio group (-S-CH3) attached to the triazole ring, contributing to its unique chemical properties. The presence of the amino group (-NH2) at the 3-position of the triazole enhances its reactivity and potential for forming hydrogen bonds, making it a candidate for various applications in pharmaceuticals and agrochemicals. The compound is typically a solid at room temperature and may exhibit moderate solubility in polar solvents. Its molecular structure allows for potential interactions with biological targets, which is of interest in medicinal chemistry. Additionally, the compound's CAS number, 45534-08-5, serves as a unique identifier for regulatory and safety information. Overall, 5-(Methylthio)-1H-1,2,4-triazol-3-amine is notable for its heterocyclic nature and potential utility in various chemical applications.
Formula:C3H6N4S
InChI:InChI=1S/C3H6N4S/c1-8-3-5-2(4)6-7-3/h1H3,(H3,4,5,6,7)
InChI key:InChIKey=XGWWZKBCQLBJNH-UHFFFAOYSA-N
SMILES:S(C)C=1NC(N)=NN1
Synonyms:
  • s-Triazole, 3-amino-5-(methylthio)-
  • NSC 178858
  • 1H-1,2,4-Triazol-3-amine, 5-(methylthio)-
  • 5-(Methylthio)-1H-1,2,4-triazol-3-amine
  • 3-Amino-5-(methylthio)-1,2,4-triazole
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