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 C11H11NS
Molecular Weight 189.28 g/mol
Exact Mass 189.0612 Da
InChI
InChI=1S/C11H11NS/c1-13-11-6-4-10(5-7-11)12-8-2-3-9-12/h2-9H,1H3
InChIKey
MCXZWVLBEDRPNO-UHFFFAOYSA-N
SMILES
CSC1=CC=C(C=C1)N2C=CC=C2
Number of Atoms 24
Number of H-Bond Acceptors 1
Number of H-Bond Donors 0
Atoms in the Largest π-System 11
XLogP 2.5
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