AC1MESUN
dimethyl 2-(6-methoxy-2,2-dimethyl-1-prop-2-enoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00721948|dimethyl 2-(1-acryloyl-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-(1-acryloyl-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-(6-methoxy-2,2-dimethyl-1-prop-2-enoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate|methyl 2-(6-methoxy-2,2-dimethyl-1-prop-2-enoyl-3-thioxo(4-1,2-dihydroquinolyl idene))-5-(methoxycarbonyl)-1,3-dithiolene-4-carboxylate
| Molecular Formula | C22H21NO6S3 |
|---|---|
| Molecular Weight | 491.0531 g/mol |
| LogP | 4.0825 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.0531 |
| Monoisotopic Mass | 491.0531 |
| Heavy Atoms | 32 |
| Complexity | 1088.663 |
Chemical Identifiers
| CAS Number | 331973-67-2 |
|---|---|
| SMILES | CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C=C)C=CC(=C3)OC)C |
Product Overview
AC1MESUN (CAS 331973-67-2), with molecular formula C22H21NO6S3 and molecular weight 491.0531 g/mol. IUPAC: dimethyl 2-(6-methoxy-2,2-dimethyl-1-prop-2-enoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.