Opera_ID_1560
[4-oxo-3-[(E)-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)iminomethyl]chromen-6-yl] acetate
Also Known As: (E)-4-oxo-3-(((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino)methyl)-4H-chromen-6-yl acetate|[4-oxo-3-[(6-oxo-2-sulfanylidene-3H-pyrimidin-4-yl)iminomethyl]chromen-6-yl] Acetate|Acetic acid 4-oxo-3-{[(E)-6-oxo-2-thioxo-1,2,3,6-tetrahydro-pyrimidin-4-ylimino]-methyl}-4H-chromen-6-yl ester
CAS: 899401-50-4
| Molecular Formula | C16H11N3O5S |
|---|---|
| Molecular Weight | 357.04193 g/mol |
| LogP | 2.21479 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.04193 |
| Monoisotopic Mass | 357.04193 |
| Heavy Atoms | 25 |
| Complexity | 1144.3342 |
Chemical Identifiers
| CAS Number | 899401-50-4 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)OC=C(C2=O)/C=N/C3=CC(=O)NC(=S)N3 |
Product Overview
Opera_ID_1560 (CAS 899401-50-4), with molecular formula C16H11N3O5S and molecular weight 357.04193 g/mol. IUPAC: [4-oxo-3-[(E)-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)iminomethyl]chromen-6-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.
View MSDS →
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