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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>7</sub>H<sub>6</sub>N<sub>2</sub>S

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Extracted from

Scheme 48

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₇H₆N₂S
Molecular Weight	150.20 g/mol
Exact Mass	150.0252 Da
InChI	InChI=1S/C7H6N2S/c1-2-7(10-5-1)6-3-4-8-9-6/h1-5H,(H,8,9)
InChIKey	TVNDPZYOQCCHTJ-UHFFFAOYSA-N
SMILES	C1=CSC(=C1)C2=CC=NN2
Number of Atoms	16
Number of H-Bond Acceptors	2
Number of H-Bond Donors	1
Atoms in the Largest π-System	9
XLogP	1.8

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