The Groebke–Blackburn–Bienaymé reaction in its maturity: innovation and improvements since its 21st birthday (2019–2023)

Cristina Martini, Muhammad Idham Darussalam Mardjan and Andrea Basso
Beilstein J. Org. Chem. 2024, 20, 1839–1879. https://doi.org/10.3762/bjoc.20.162

Chemical Information

Calculated using the Chemistry Development Kit 2.12
Molecular Formula C5H6N4S
Molecular Weight 154.19 g/mol
Exact Mass 154.0313 Da
InChI
InChI=1S/C5H6N4S/c1-10-5-3(2-6)4(7)8-9-5/h1H3,(H3,7,8,9)
InChIKey
IUVUVQGOSHLPJV-UHFFFAOYSA-N
SMILES
CSC1=NNC(=C1C#N)N
Number of Atoms 16
Number of H-Bond Acceptors 4
Number of H-Bond Donors 2
Atoms in the Largest π-System 8
XLogP 0.8
Zoomed SVG