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CAS 80650-21-1

:

1-(2,6-Dimethylphenyl)-1,2-dihydro-5H-tetrazole-5-thione

Description:
1-(2,6-Dimethylphenyl)-1,2-dihydro-5H-tetrazole-5-thione, with the CAS number 80650-21-1, is a chemical compound characterized by its unique tetrazole ring structure, which is a five-membered ring containing four nitrogen atoms and one carbon atom. This compound features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom within the tetrazole framework. The presence of the 2,6-dimethylphenyl substituent contributes to its hydrophobic characteristics and may influence its reactivity and solubility in organic solvents. Generally, compounds of this type can exhibit biological activity, making them of interest in pharmaceutical research. The thione group can participate in various chemical reactions, including nucleophilic attacks and coordination with metal ions. Additionally, the compound's stability, melting point, and solubility can vary based on environmental conditions and the presence of other functional groups. Overall, this compound represents a class of heterocyclic compounds with potential applications in medicinal chemistry and materials science.
Formula:C9H10N4S
InChI:InChI=1S/C9H10N4S/c1-6-4-3-5-7(2)8(6)13-9(14)10-11-12-13/h3-5H,1-2H3,(H,10,12,14)
InChI key:InChIKey=BPNGKLFVOMPRJQ-UHFFFAOYSA-N
SMILES:CC1=C(C(C)=CC=C1)N2C(=S)NN=N2
Synonyms:
  • 1-(2,6-Dimethylphenyl)-1,2-dihydro-5H-tetrazole-5-thione
  • 1-(2,6-Dimethylphenyl)-1H-1,2,3,4-tetrazole-5-thiol
  • 5H-Tetrazole-5-thione, 1-(2,6-dimethylphenyl)-1,2-dihydro-
  • 1-(2,6-Dimethylphenyl)-1H-tetrazole-5-thiol
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