AC1NQCIK
1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone
Also Known As: 1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone|4-(5-Acetyl-6-methyl-1-phenyl-2-sulfanylidene-1,2-dihydropyrimidin-4-yl)-1-benzylpiperazin-1-ium
CAS: 6823-17-2
| Molecular Formula | C24H27N4OS+ |
|---|---|
| Molecular Weight | 419.19055 g/mol |
| LogP | 3.01791 |
| Topological Polar Surface Area | 42.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.19055 |
| Monoisotopic Mass | 419.19055 |
| Heavy Atoms | 30 |
| Complexity | 1087.4388 |
Chemical Identifiers
| CAS Number | 6823-17-2 |
|---|---|
| SMILES | CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)C(=O)C |
Product Overview
AC1NQCIK (CAS 6823-17-2), with molecular formula C24H27N4OS+ and molecular weight 419.19055 g/mol. IUPAC: 1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone.
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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