TL;DR: 6-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione (CAS 122246-15-5) is a chemical compound with molecular formula C13H13NOS3 and molecular weight 295.01593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione
Also Known As: 6-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, AKOS BBS-00005661, 2465AD, 6-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione, J1.842.404E
| Molecular Formula | C13H13NOS3 |
| Molecular Weight | 295.01593 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.01593 Da |
| Heavy Atoms | 18 |
| Complexity | 418.0 |
| SMILES | CC1(C2=C(C3=C(N1)C(=CC=C3)OC)C(=S)SS2)C |
| InChIKey | TUUWVDUMWZBPRC-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione. Following Lipinski's Rule of Five, 6-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is 122246-15-5.
The molecular formula of 6-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is C13H13NOS3.
The molecular weight of 6-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is 295.01593 g/mol.
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