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Clauson–Kaas pyrrole synthesis using diverse catalysts: a transition from conventional to greener approach

Dileep Kumar Singh and Rajesh Kumar

Beilstein J. Org. Chem. 2023, 19, 928–955. https://doi.org/10.3762/bjoc.19.71

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Chemical structure C<sub>12</sub>H<sub>10</sub>N<sub>2</sub>S

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Extracted from

Scheme 14

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₂H₁₀N₂S
Molecular Weight	214.29 g/mol
Exact Mass	214.0565 Da
InChI	InChI=1S/C12H10N2S/c1-9-4-5-10-11(8-9)15-12(13-10)14-6-2-3-7-14/h2-8H,1H3
InChIKey	ZGEXJJHASOLYOB-UHFFFAOYSA-N
SMILES	CC1=CC2=C(C=C1)N=C(N3C=CC=C3)S2
Number of Atoms	25
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	13
XLogP	2.1

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