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CAS 108413-56-5

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5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione

Description:
5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione is a heterocyclic compound characterized by the presence of an oxadiazole ring, which is a five-membered ring containing two nitrogen atoms and three carbon atoms, along with a thione functional group. This compound features a 3,4-dimethylphenyl substituent, contributing to its aromatic character and potentially influencing its solubility and reactivity. The thione group, which is a sulfur-containing functional group, can impart unique chemical properties, such as increased nucleophilicity and potential for coordination with metal ions. The compound may exhibit interesting biological activities, making it a subject of interest in medicinal chemistry and material science. Its structural features suggest potential applications in organic electronics, pharmaceuticals, or as a ligand in coordination chemistry. As with many heterocycles, the stability and reactivity of this compound can be influenced by the electronic effects of the substituents on the aromatic ring.
Formula:C10H10N2OS
InChI:InChI=1S/C10H10N2OS/c1-6-3-4-8(5-7(6)2)9-11-12-10(14)13-9/h3-5H,1-2H3,(H,12,14)
InChI key:InChIKey=ZKMQIPCAKYEHCX-UHFFFAOYSA-N
SMILES:CC=1C=C(C=CC1C)C=2OC(=S)NN2
Synonyms:
  • 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione
  • 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,4-dimethylphenyl)-
  • 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2-thiol
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