TL;DR: Pyrimidine, 2,2'-(1,6-hexanediylbis(thio))bis(4,6-dimethyl- (CAS 14961-49-0) is a chemical compound with molecular formula C18H26N4S2 and molecular weight 362.15988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexylsulfanyl]-4,6-dimethylpyrimidine
Also Known As: 1,6-Bis(4,6-dimethylpyrimidinyl-2-thio)hexane, Pyrimidine, 2,2'-(1,6-hexanediylbis(thio))bis(4,6-dimethyl-, 5-23-11-00166 (Beilstein Handbook Reference), 2,2'-(1,6-Hexanediylbis(thio))bis(4,6-dimethylpyrimidine), 2,2'-[Hexane-1,6-diylbis(sulfanediyl)]bis(4,6-dimethylpyrimidine)
| Molecular Formula | C18H26N4S2 |
| Molecular Weight | 362.15988 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 362.15988 Da |
| Heavy Atoms | 24 |
| Complexity | 293.0 |
| SMILES | CC1=CC(=NC(=N1)SCCCCCCSC2=NC(=CC(=N2)C)C)C |
| InChIKey | HBHZJHWPZHVUAN-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that Pyrimidine, 2,2'-(1,6-hexanediylbis(thio))bis(4,6-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine, 2,2'-(1,6-hexanediylbis(thio))bis(4,6-dimethyl-. Following Lipinski's Rule of Five, Pyrimidine, 2,2'-(1,6-hexanediylbis(thio))bis(4,6-dimethyl- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyrimidine, 2,2'-(1,6-hexanediylbis(thio))bis(4,6-dimethyl- is 14961-49-0.
The molecular formula of Pyrimidine, 2,2'-(1,6-hexanediylbis(thio))bis(4,6-dimethyl- is C18H26N4S2.
The molecular weight of Pyrimidine, 2,2'-(1,6-hexanediylbis(thio))bis(4,6-dimethyl- is 362.15988 g/mol.
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