AC1NEHCR
dimethyl 2-[2,2,6,8-tetramethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: AJ-292/13095202|dimethyl 2-[2,2,6,8-tetramethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-(2,2,6,8-tetramethyl-3-thioxo-1-(2,2,2-trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-(2,2,6,8-tetramethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-[2,2,6,8-tetramethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C22H20F3NO5S3 |
|---|---|
| Molecular Weight | 531.0456 g/mol |
| LogP | 5.06704 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 531.0456 |
| Monoisotopic Mass | 531.0456 |
| Heavy Atoms | 34 |
| Complexity | 1170.9009 |
Chemical Identifiers
| CAS Number | 351224-75-4 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C(F)(F)F)(C)C)C |
Product Overview
AC1NEHCR (CAS 351224-75-4), with molecular formula C22H20F3NO5S3 and molecular weight 531.0456 g/mol. IUPAC: dimethyl 2-[2,2,6,8-tetramethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
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