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 | C3H4N2S |
| Molecular Weight | 100.14 g/mol |
| Exact Mass | 100.0095 Da |
| InChI |
InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)
|
| InChIKey |
RAIPHJJURHTUIC-UHFFFAOYSA-N
|
| SMILES |
C1=CSC(=N1)N
|
| Number of Atoms | 10 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 5 |
| XLogP | -0.2 |