TL;DR: 8-methyl-6-propylsulfanyl-7H-purine (CAS 102369-44-8) is a chemical compound with molecular formula C9H12N4S and molecular weight 208.07826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-methyl-6-propylsulfanyl-7H-purine
Also Known As: 8-methyl-6-propylsulfanyl-7H-purine, 9H-Purine, 8-methyl-6-(propylthio)-
| Molecular Formula | C9H12N4S |
| Molecular Weight | 208.07826 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.07826 Da |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
| SMILES | CCCSC1=NC=NC2=C1NC(=N2)C |
| InChIKey | IQRPWZANASQZDM-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-methyl-6-propylsulfanyl-7H-purine. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-methyl-6-propylsulfanyl-7H-purine. Following Lipinski's Rule of Five, 8-methyl-6-propylsulfanyl-7H-purine 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 8-methyl-6-propylsulfanyl-7H-purine is 102369-44-8.
The molecular formula of 8-methyl-6-propylsulfanyl-7H-purine is C9H12N4S.
The molecular weight of 8-methyl-6-propylsulfanyl-7H-purine is 208.07826 g/mol.
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