methyl 2-(5H-purin-6-ylsulfanyl)acetate
methyl 2-(5H-purin-6-ylsulfanyl)acetate
Also Known As: methyl 2-(5H-purin-6-ylsulfanyl)acetate|Methyl [(5H-purin-6-yl)sulfanyl]acetate|(7(9)H-Purin-6-ylmercapto)-essigsaeure-methylester
CAS: 5441-50-9
| Molecular Formula | C8H8N4O2S |
|---|---|
| Molecular Weight | 224.0368 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.0368 |
| Monoisotopic Mass | 224.0368 |
| Heavy Atoms | 15 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 5441-50-9 |
|---|---|
| SMILES | COC(=O)CSC1=NC=NC2=NC=NC21 |
| InChIKey | NWKYVFNGWZWSLS-UHFFFAOYSA-N |
Product Overview
methyl 2-(5H-purin-6-ylsulfanyl)acetate (CAS 5441-50-9), with molecular formula C8H8N4O2S and molecular weight 224.0368 g/mol. IUPAC: methyl 2-(5H-purin-6-ylsulfanyl)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.
View MSDS →
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