CAS 885460-61-7

5-(5-Ethyl-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-1,3,4-oxadiazole-2(3H)-thione

Description:

5-(5-Ethyl-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-1,3,4-oxadiazole-2(3H)-thione is a heterocyclic compound characterized by the presence of an oxadiazole ring and a thione functional group. This compound features a tetrahydrobenzo[b]thien moiety, which contributes to its unique structural and electronic properties. The ethyl substituent enhances its lipophilicity, potentially affecting its solubility and biological activity. The thione group, which is a sulfur analog of a ketone, can participate in various chemical reactions, including nucleophilic attacks and coordination with metal ions. This compound may exhibit interesting pharmacological properties, making it a candidate for further research in medicinal chemistry. Its specific interactions and reactivity can be influenced by the presence of the sulfur atom and the overall molecular structure, which may also affect its stability and reactivity under different conditions. Overall, this compound represents a class of organic molecules with potential applications in pharmaceuticals and materials science.

Formula: C₁₂H₁₄N₂OS₂

InChI: InChI=1S/C12H14N2OS2/c1-2-7-3-4-9-8(5-7)6-10(17-9)11-13-14-12(16)15-11/h6-7H,2-5H2,1H3,(H,14,16)

InChI key: InChIKey=ZWWRMBJAUODDAT-UHFFFAOYSA-N

SMILES: S=C1OC(C2=CC3=C(S2)CCC(CC)C3)=NN1

Synonyms:

• 5-(5-Ethyl-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-1,3,4-oxadiazole-2(3H)-thione
• 1,3,4-Oxadiazole-2(3H)-thione, 5-(5-ethyl-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-