AC1MIT4B
ethyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate
Also Known As: BAS 00341112|ethyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate|AG-690/09403025|ethyl [(3-methyl-7-octyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate|ethyl 2-((3-methyl-7-octyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate|ethyl 2-[(3-methyl-7-octyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
CAS: 313552-37-3
| Molecular Formula | C18H28N4O4S |
|---|---|
| Molecular Weight | 396.18314 g/mol |
| LogP | 2.439 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 396.18314 |
| Monoisotopic Mass | 396.18314 |
| Heavy Atoms | 27 |
| Complexity | 883.8396 |
Chemical Identifiers
| CAS Number | 313552-37-3 |
|---|---|
| SMILES | CCCCCCCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C |
Product Overview
AC1MIT4B (CAS 313552-37-3), with molecular formula C18H28N4O4S and molecular weight 396.18314 g/mol. IUPAC: ethyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate.
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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