AC1MIRP3
dimethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_027865|HMS666C13|BAS 01094969|SR-01000527913-1|dimethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate|A2181/0091644|4,5-DIMETHYL 2-(6-ETHOXY-2,2-DIMETHYL-1-PENTANOYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE)-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE|dimethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C25H29NO6S3 |
|---|---|
| Molecular Weight | 535.1157 g/mol |
| LogP | 5.4768 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 535.1157 |
| Monoisotopic Mass | 535.1157 |
| Heavy Atoms | 35 |
| Complexity | 1108.0114 |
Chemical Identifiers
| CAS Number | 309293-50-3 |
|---|---|
| SMILES | CCCCC(=O)N1C2=C(C=C(C=C2)OCC)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C |
Product Overview
AC1MIRP3 (CAS 309293-50-3), with molecular formula C25H29NO6S3 and molecular weight 535.1157 g/mol. IUPAC: dimethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
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