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 |