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Multicomponent syntheses of pyrazoles via (3 + 2)-cyclocondensation and (3 + 2)-cycloaddition key steps

Ignaz Betcke, Alissa C. Götzinger, Maryna M. Kornet and Thomas J. J. Müller

Beilstein J. Org. Chem. 2024, 20, 2024–2077. https://doi.org/10.3762/bjoc.20.178

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Chemical structure C<sub>2</sub>H<sub>6</sub>N<sub>6</sub>S

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Extracted from

Scheme 13

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₂H₆N₆S
Molecular Weight	146.18 g/mol
Exact Mass	146.0375 Da
InChI	InChI=1S/C2H6N6S/c3-5-1-6-7-2(9)8(1)4/h3-4H2,(H,5,6)(H,7,9)
InChIKey	RDIMQHBOTMWMJA-UHFFFAOYSA-N
SMILES	C1(=NN=C(N1N)S)NN
Number of Atoms	15
Number of H-Bond Acceptors	6
Number of H-Bond Donors	3
Atoms in the Largest π-System	8
XLogP	-1.0

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