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CAS 41808-35-9

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5-Amino-3-methyl-4-isothiazolecarbonitrile

Description:
5-Amino-3-methyl-4-isothiazolecarbonitrile is a heterocyclic compound characterized by the presence of an isothiazole ring, which is a five-membered ring containing both sulfur and nitrogen atoms. This compound features an amino group (-NH2) and a cyano group (-C≡N) attached to the isothiazole structure, contributing to its reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The methyl group at the 3-position of the isothiazole enhances its lipophilicity, which can influence its biological activity. The presence of both amino and cyano functionalities suggests that it may participate in a range of chemical reactions, such as nucleophilic substitutions or condensation reactions. Additionally, the compound's unique structure may impart specific properties, such as solubility in polar solvents and potential interactions with biological targets. Overall, 5-Amino-3-methyl-4-isothiazolecarbonitrile is of interest for its synthetic versatility and potential utility in medicinal chemistry.
Formula:C5H5N3S
InChI:InChI=1S/C5H5N3S/c1-3-4(2-6)5(7)9-8-3/h7H2,1H3
InChI key:InChIKey=PJQFZPWSFDVYIF-UHFFFAOYSA-N
SMILES:C(#N)C=1C(C)=NSC1N
Synonyms:
  • 4-Isothiazolecarbonitrile, 5-Amino-3-Methyl-
  • 5-Amino-3-Methylisothiazole-4-Carbonitrile
  • 5-Amino-3-methyl-4-isothiazolecarbonitrile
  • 5-Amino-4-cyano-3-methylisothiazole
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