TL;DR: 5H-Pyrazolo(3,4-b)pyrazine-5-thione, 1,4-dihydro-1-ethenyl- (CAS 133280-12-3) is a chemical compound with molecular formula C7H6N4S and molecular weight 178.03131 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethenyl-4H-pyrazolo[4,5-b]pyrazine-5-thione
Also Known As: 5H-Pyrazolo(3,4-b)pyrazine-5-thione, 1,4-dihydro-1-ethenyl-, 1,4-Dihydro-1-ethenyl-5H-pyrazolo(3,4-b)pyrazine-5-thione, 1-ethenyl-4H-pyrazolo[3,4-b]pyrazine-5-thione, 1-Ethenyl-1,4-dihydro-5H-pyrazolo[3,4-b]pyrazine-5-thione
| Molecular Formula | C7H6N4S |
| Molecular Weight | 178.03131 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 74.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.03131 Da |
| Heavy Atoms | 12 |
| Complexity | 250.0 |
| SMILES | C=CN1C2=C(C=N1)NC(=S)C=N2 |
| InChIKey | KEUHGODYIPSIRH-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-Pyrazolo(3,4-b)pyrazine-5-thione, 1,4-dihydro-1-ethenyl-. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-Pyrazolo(3,4-b)pyrazine-5-thione, 1,4-dihydro-1-ethenyl-. Following Lipinski's Rule of Five, 5H-Pyrazolo(3,4-b)pyrazine-5-thione, 1,4-dihydro-1-ethenyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5H-Pyrazolo(3,4-b)pyrazine-5-thione, 1,4-dihydro-1-ethenyl- is 133280-12-3.
The molecular formula of 5H-Pyrazolo(3,4-b)pyrazine-5-thione, 1,4-dihydro-1-ethenyl- is C7H6N4S.
The molecular weight of 5H-Pyrazolo(3,4-b)pyrazine-5-thione, 1,4-dihydro-1-ethenyl- is 178.03131 g/mol.
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