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

Chemical Information

Calculated using the Chemistry Development Kit 2.12
Molecular Formula C6H9NO2S
Molecular Weight 159.21 g/mol
Exact Mass 159.0354 Da
InChI
InChI=1S/C6H9NO2S/c1-2-10(8,9)7-5-3-4-6-7/h3-6H,2H2,1H3
InChIKey
JUXSQWRYNQTZII-UHFFFAOYSA-N
SMILES
CCS(=O)(=O)N1C=CC=C1
Number of Atoms 19
Number of H-Bond Acceptors 3
Number of H-Bond Donors 0
Atoms in the Largest π-System 8
XLogP 1.1
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