AC1LV0LH
4-[5-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzonitrile
Also Known As: 4-{5-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzonitrile|(E)-4-(5-((1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzonitrile|4-[5-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzonitrile
CAS: 444546-84-3
| Molecular Formula | C17H11N3O3S |
|---|---|
| Molecular Weight | 337.05212 g/mol |
| LogP | 2.07478 |
| Topological Polar Surface Area | 86.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.05212 |
| Monoisotopic Mass | 337.05212 |
| Heavy Atoms | 24 |
| Complexity | 919.30255 |
Chemical Identifiers
| CAS Number | 444546-84-3 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)C#N)/C(=O)NC1=S |
Product Overview
AC1LV0LH (CAS 444546-84-3), with molecular formula C17H11N3O3S and molecular weight 337.05212 g/mol. IUPAC: 4-[5-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzonitrile.
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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