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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>10</sub>H<sub>8</sub>OS

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Extracted from

Scheme 86

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₀H₈OS
Molecular Weight	176.24 g/mol
Exact Mass	176.0296 Da
InChI	InChI=1S/C10H8OS/c11-9-7-12-10(9)6-8-4-2-1-3-5-8/h1-6H,7H2/b10-6-
InChIKey	MUCLRHFDBFHRKO-POHAHGRESA-N
SMILES	C1=CC=C(C=C1)/C=C\2/C(=O)CS2
Number of Atoms	20
Number of H-Bond Acceptors	1
Number of H-Bond Donors	0
Atoms in the Largest π-System	10
XLogP	1.8

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