TL;DR: Purine, 7-methyl-6-(methylthio)- (CAS 109215-62-5) is a chemical compound with molecular formula C7H8N4S and molecular weight 180.04697 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-methyl-6-methylsulfanylpurine
Also Known As: Purine, 7-methyl-6-(methylthio)-, 7-methyl-6-methylsulfanylpurine, 7-Methyl-6-methylthiopurin, 7-methyl-6-methylthiopurine, 7-methyl-6-(methylthio)-7H-purine
| Molecular Formula | C7H8N4S |
| Molecular Weight | 180.04697 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.04697 Da |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
| SMILES | CN1C=NC2=C1C(=NC=N2)SC |
| InChIKey | WGZQCBOLSZNNRW-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Purine, 7-methyl-6-(methylthio)-. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Purine, 7-methyl-6-(methylthio)-. Following Lipinski's Rule of Five, Purine, 7-methyl-6-(methylthio)- has 0 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 Purine, 7-methyl-6-(methylthio)- is 109215-62-5.
The molecular formula of Purine, 7-methyl-6-(methylthio)- is C7H8N4S.
The molecular weight of Purine, 7-methyl-6-(methylthio)- is 180.04697 g/mol.
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