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 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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