AC1MDNJH
dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene]-1,3-dithiole-4,5-dicarboxylate
CAS: 5302-45-4
| Molecular Formula | C26H22INO6S3 |
|---|---|
| Molecular Weight | 666.9654 g/mol |
| LogP | 5.8149 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 666.9654 |
| Monoisotopic Mass | 666.9654 |
| Heavy Atoms | 37 |
| Complexity | 1367.5221 |
Chemical Identifiers
| CAS Number | 5302-45-4 |
|---|---|
| SMILES | CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CC=C(C=C4)I)C=C(C=C3)OC)C |
Product Overview
AC1MDNJH (CAS 5302-45-4), with molecular formula C26H22INO6S3 and molecular weight 666.9654 g/mol. IUPAC: dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
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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