Ethyl 2-(6-decylsulfanylpurin-9-yl)acetate
ethyl 2-(6-decylsulfanylpurin-9-yl)acetate
Also Known As: ethyl 2-(6-decylsulfanylpurin-9-yl)acetate|0.05 H2O|6-(Decylthio)purine-9-acetic acid, ethyl ester|Ethyl [6-(decylsulfanyl)-9H-purin-9-yl]acetate|Ethyl 2-(6-(decylthio)-9H-purin-9-yl)acetate|9H-Purine-9-acetic acid, 6-(decylthio)-, ethyl ester
CAS: 646509-68-4
| Molecular Formula | C19H30N4O2S |
|---|---|
| Molecular Weight | 378.20895 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 378.20895 |
| Monoisotopic Mass | 378.20895 |
| Heavy Atoms | 26 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 646509-68-4 |
|---|---|
| SMILES | CCCCCCCCCCSC1=NC=NC2=C1N=CN2CC(=O)OCC |
| InChIKey | VCSCHCINOFAYHE-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(6-decylsulfanylpurin-9-yl)acetate (CAS 646509-68-4), with molecular formula C19H30N4O2S and molecular weight 378.20895 g/mol. IUPAC: ethyl 2-(6-decylsulfanylpurin-9-yl)acetate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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