TL;DR: 4,4-dimethyl-8-trityl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione (CAS 161370-62-3) is a chemical compound with molecular formula C31H25NS3 and molecular weight 507.1149 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4-dimethyl-8-trityl-5H-dithiolo[3,4-c]quinoline-1-thione
Also Known As: BAS 00096143, J1.842.407J, 4,4-dimethyl-8-trityl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, 4,4-dimethyl-8-trityl-5H-dithiolo[3,4-c]quinoline-1-thione, 4,4-dimethyl-8-(triphenylmethyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione
| Molecular Formula | C31H25NS3 |
| Molecular Weight | 507.1149 g/mol |
| XLogP | 8.0 |
| Topological Polar Surface Area (TPSA) | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 507.1149 Da |
| Heavy Atoms | 35 |
| Complexity | 768.0 |
| SMILES | CC1(C2=C(C3=C(N1)C=CC(=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=S)SS2)C |
| InChIKey | UKNGBIXIKURORZ-UHFFFAOYSA-N |
The XLogP value of 8.0 indicates that 4,4-dimethyl-8-trityl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-dimethyl-8-trityl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione. Following Lipinski's Rule of Five, 4,4-dimethyl-8-trityl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4,4-dimethyl-8-trityl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is 161370-62-3.
The molecular formula of 4,4-dimethyl-8-trityl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is C31H25NS3.
The molecular weight of 4,4-dimethyl-8-trityl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is 507.1149 g/mol.
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