TL;DR: [6-(Ethylsulfanyl)-9h-purin-9-yl]methanol (CAS 14171-36-9) is a chemical compound with molecular formula C8H10N4OS and molecular weight 210.05753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-ethylsulfanylpurin-9-yl)methanol
Also Known As: [6-(ethylsulfanyl)-9h-purin-9-yl]methanol|KST-1A1361|(6-ethylsulfanyl-purin-9-yl)-methanol|(6-ethylsulfanylpurin-9-yl)methanol|(6-(Ethylthio)-9H-purin-9-yl)methanol|9H-Purine-9-methanol,6-(ethylthio)-|NSC99939
| Molecular Formula | C8H10N4OS |
| Molecular Weight | 210.05753 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.05753 Da |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
| SMILES | CCSC1=NC=NC2=C1N=CN2CO |
| InChIKey | PPHKAJISFSYMPB-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [6-(Ethylsulfanyl)-9h-purin-9-yl]methanol. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for [6-(Ethylsulfanyl)-9h-purin-9-yl]methanol. Following Lipinski's Rule of Five, [6-(Ethylsulfanyl)-9h-purin-9-yl]methanol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [6-(Ethylsulfanyl)-9h-purin-9-yl]methanol is 14171-36-9.
The molecular formula of [6-(Ethylsulfanyl)-9h-purin-9-yl]methanol is C8H10N4OS.
The molecular weight of [6-(Ethylsulfanyl)-9h-purin-9-yl]methanol is 210.05753 g/mol.
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