AC1M3ICU
(5E)-1-(2,4-dimethoxyphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5E)-1-(2,4-dimethoxyphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione|(5E)-1-(2,4-dimethoxyphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CAS: 679798-53-9
| Molecular Formula | C22H20N2O7S |
|---|---|
| Molecular Weight | 456.09912 g/mol |
| LogP | 2.6625 |
| Topological Polar Surface Area | 95.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.09912 |
| Monoisotopic Mass | 456.09912 |
| Heavy Atoms | 32 |
| Complexity | 1145.3395 |
Chemical Identifiers
| CAS Number | 679798-53-9 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1/C=C/3\C(=O)NC(=S)N(C3=O)C4=C(C=C(C=C4)OC)OC)OCO2 |
Product Overview
AC1M3ICU (CAS 679798-53-9), with molecular formula C22H20N2O7S and molecular weight 456.09912 g/mol. IUPAC: (5E)-1-(2,4-dimethoxyphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
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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