TL;DR: 4,4,6-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione (CAS 122246-14-4) is a chemical compound with molecular formula C13H13NS3 and molecular weight 279.02103 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4,6-trimethyl-5H-dithiolo[3,4-c]quinoline-1-thione
Also Known As: 4,4,6-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, DivK1c_003975, CDS1_002935, 4,4,6-trimethyl-5H-dithiolo[3,4-c]quinoline-1-thione, BAS 00096157
| Molecular Formula | C13H13NS3 |
| Molecular Weight | 279.02103 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 279.02103 Da |
| Heavy Atoms | 17 |
| Complexity | 399.0 |
| SMILES | CC1=C2C(=CC=C1)C3=C(C(N2)(C)C)SSC3=S |
| InChIKey | AQRPGPLODOTTPX-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 4,4,6-trimethyl-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 4,4,6-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione. Following Lipinski's Rule of Five, 4,4,6-trimethyl-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,4,6-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is 122246-14-4.
The molecular formula of 4,4,6-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is C13H13NS3.
The molecular weight of 4,4,6-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is 279.02103 g/mol.
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