Benzyl 2-(6-decylsulfanylpurin-9-yl)acetate structure

Benzyl 2-(6-decylsulfanylpurin-9-yl)acetate

benzyl 2-(6-decylsulfanylpurin-9-yl)acetate

Also Known As: benzyl 2-(6-decylsulfanylpurin-9-yl)acetate|9-Purine acetic acid,6-decylthio-,benzyl ester|9-Purine acetic acid, 6-decylthio-, benzyl ester|Benzyl [6-(decylsulfanyl)-9H-purin-9-yl]acetate|9H-Purine-9-acetic acid, 6-(decylthio)-, phenylmethyl ester

CAS: 646509-87-7
Molecular Formula C24H32N4O2S
Molecular Weight 440.2246 g/mol
LogP 6.9
Topological Polar Surface Area 95.2 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 15
Exact Mass 440.2246
Monoisotopic Mass 440.2246
Heavy Atoms 31
Complexity 504.0

Chemical Identifiers

CAS Number 646509-87-7
SMILES CCCCCCCCCCSC1=NC=NC2=C1N=CN2CC(=O)OCC3=CC=CC=C3
InChIKey YOFCGHGLNIHIJD-UHFFFAOYSA-N

Product Overview

Benzyl 2-(6-decylsulfanylpurin-9-yl)acetate (CAS 646509-87-7), with molecular formula C24H32N4O2S and molecular weight 440.2246 g/mol. IUPAC: benzyl 2-(6-decylsulfanylpurin-9-yl)acetate.

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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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