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CAS 175135-68-9

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2-[(5-Amino-1,3,4-thiadiazol-2-yl)thio]-5-nitrobenzonitrile

Description:
2-[(5-Amino-1,3,4-thiadiazol-2-yl)thio]-5-nitrobenzonitrile is a chemical compound characterized by its complex structure, which includes a thiadiazole ring and a nitro group. The presence of the amino group on the thiadiazole contributes to its potential as a bioactive molecule, possibly exhibiting antimicrobial or antitumor properties. The nitro group is known for its electron-withdrawing effects, which can influence the compound's reactivity and solubility. This substance is typically a solid at room temperature and may exhibit moderate to high stability under standard conditions. Its solubility can vary depending on the solvent, often being more soluble in polar organic solvents. The compound's unique functional groups suggest potential applications in pharmaceuticals or agrochemicals, where it may serve as a precursor or an active ingredient. As with many nitrogen-containing heterocycles, it may also participate in various chemical reactions, including nucleophilic substitutions and reductions, making it of interest in synthetic organic chemistry.
Formula:C9H5N5O2S2
InChI:InChI=1S/C9H5N5O2S2/c10-4-5-3-6(14(15)16)1-2-7(5)17-9-13-12-8(11)18-9/h1-3H,(H2,11,12)
InChI key:InChIKey=JNPWQAVABOYLKJ-UHFFFAOYSA-N
SMILES:S(C1=C(C#N)C=C(N(=O)=O)C=C1)C2=NN=C(N)S2
Synonyms:
  • 2-[(5-Amino-1,3,4-Thiadiazol-2-Yl)Sulfanyl]-5-Nitrobenzonitrile
  • Benzonitrile, 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-5-nitro-
  • 2-[(5-Amino-1,3,4-thiadiazol-2-yl)thio]-5-nitrobenzonitrile
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