Phenyl 2-(6-decylsulfanylpurin-9-yl)acetate
phenyl 2-(6-decylsulfanylpurin-9-yl)acetate
Also Known As: phenyl 2-(6-decylsulfanylpurin-9-yl)acetate|9-Purine acetic acid,6-decylthiophenylester|9-Purine acetic acid, 6-decylthiophenylester|Phenyl [6-(decylsulfanyl)-9H-purin-9-yl]acetate|9H-Purine-9-acetic acid, 6-(decylthio)-, phenyl ester
CAS: 646509-89-9
| Molecular Formula | C23H30N4O2S |
|---|---|
| Molecular Weight | 426.20895 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 426.20895 |
| Monoisotopic Mass | 426.20895 |
| Heavy Atoms | 30 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 646509-89-9 |
|---|---|
| SMILES | CCCCCCCCCCSC1=NC=NC2=C1N=CN2CC(=O)OC3=CC=CC=C3 |
| InChIKey | PDVPCNSSRSZTSA-UHFFFAOYSA-N |
Product Overview
Phenyl 2-(6-decylsulfanylpurin-9-yl)acetate (CAS 646509-89-9), with molecular formula C23H30N4O2S and molecular weight 426.20895 g/mol. IUPAC: phenyl 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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