TL;DR: 6K-036 (CAS 400085-54-3) is a chemical compound with molecular formula C15H9F3N4OS2 and molecular weight 382.017 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-(furan-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 6K-036, 5-[3-(2-furyl)-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]-4-methyl-4H-1,2,4-triazole-3-thiol, 3-[3-(furan-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]-4-methyl-1H-1,2,4-triazole-5-thione, 5-[3-(furan-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]-4-methyl-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C15H9F3N4OS2 |
| Molecular Weight | 382.017 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.017 Da |
| Heavy Atoms | 25 |
| Complexity | 588.0 |
| SMILES | CN1C(=NNC1=S)C2=C(C3=C(S2)C=C(C=N3)C(F)(F)F)C4=CC=CO4 |
| InChIKey | HSKSLTVHIJMDHE-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 6K-036 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6K-036. Following Lipinski's Rule of Five, 6K-036 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6K-036 is 400085-54-3.
The molecular formula of 6K-036 is C15H9F3N4OS2.
The molecular weight of 6K-036 is 382.017 g/mol.
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