TL;DR: Thieno(3,4-b)quinoxaline, 1,3,3a,4,9,9a-hexahydro-, 2-oxide (CAS 121431-71-8) is a chemical compound with molecular formula C10H12N2OS and molecular weight 208.06703 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,3a,4,9,9a-hexahydrothieno[3,4-b]quinoxaline 2-oxide
Also Known As: 1,3,3a,4,9,9a-Hexahydrothieno(3,4-b)quinoxaline 2-oxide, Thieno(3,4-b)quinoxaline, 1,3,3a,4,9,9a-hexahydro-, 2-oxide, Hexahydro-1,3,3a,4,9,9a thieno(3,4-b)quinoxaline oxyde-2, Hexahydro-1,3,3a,4,9,9a thieno(3,4-b)quinoxaline oxyde-2 [French], 1,3,3a,4,9,9a-hexahydrothieno[3,4-b]quinoxaline 2-oxide
| Molecular Formula | C10H12N2OS |
| Molecular Weight | 208.06703 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 60.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.06703 Da |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
| SMILES | C1C2C(CS1=O)NC3=CC=CC=C3N2 |
| InChIKey | CVKQQGHRARURPG-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thieno(3,4-b)quinoxaline, 1,3,3a,4,9,9a-hexahydro-, 2-oxide. The TPSA of 60.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Thieno(3,4-b)quinoxaline, 1,3,3a,4,9,9a-hexahydro-, 2-oxide. Following Lipinski's Rule of Five, Thieno(3,4-b)quinoxaline, 1,3,3a,4,9,9a-hexahydro-, 2-oxide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Thieno(3,4-b)quinoxaline, 1,3,3a,4,9,9a-hexahydro-, 2-oxide is 121431-71-8.
The molecular formula of Thieno(3,4-b)quinoxaline, 1,3,3a,4,9,9a-hexahydro-, 2-oxide is C10H12N2OS.
The molecular weight of Thieno(3,4-b)quinoxaline, 1,3,3a,4,9,9a-hexahydro-, 2-oxide is 208.06703 g/mol.
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