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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>6</sub>H<sub>7</sub>NS

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Extracted from

Scheme 72

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₆H₇NS
Molecular Weight	125.19 g/mol
Exact Mass	125.0299 Da
InChI	InChI=1S/C6H7NS/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
InChIKey	VRVRGVPWCUEOGV-UHFFFAOYSA-N
SMILES	C1=CC(=C(C=C1)S)N
Number of Atoms	15
Number of H-Bond Acceptors	1
Number of H-Bond Donors	1
Atoms in the Largest π-System	7
XLogP	0.7

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