AC1LIB3W
5-[(E)-3-(4-oxochromen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (E)-5-(3-(4-oxo-4H-chromen-3-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione|5-[(E)-3-(4-oxochromen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CAS: 799802-64-5
| Molecular Formula | C16H10N2O4S |
|---|---|
| Molecular Weight | 326.03613 g/mol |
| LogP | 1.2635 |
| Topological Polar Surface Area | 88.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.03613 |
| Monoisotopic Mass | 326.03613 |
| Heavy Atoms | 23 |
| Complexity | 933.9517 |
Chemical Identifiers
| CAS Number | 799802-64-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CO2)/C=C/C=C3C(=O)NC(=S)NC3=O |
Product Overview
AC1LIB3W (CAS 799802-64-5), with molecular formula C16H10N2O4S and molecular weight 326.03613 g/mol. IUPAC: 5-[(E)-3-(4-oxochromen-3-yl)prop-2-enylidene]-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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