AC1MEUSF
dimethyl 2-[2,2-dimethyl-1-(3-methylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_022624|DivK1c_003888|HMS651E08|CDS1_002848|BAS 00721857|AG-690/11837040|dimethyl 2-[2,2-dimethyl-1-(3-methylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate|SR-01000449883-1|4,5-DIMETHYL 2-[2,2-DIMETHYL-1-(3-METHYLBENZOYL)-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE]-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE|dimethyl 2-(2,2-dimethyl-1-(3-methylbenzoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-(2,2-dimethyl-1-(3-methylbenzoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-[2,2-dimethyl-1-(3-methylbenzoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-{2,2-dimethyl-1-[(3-methylphenyl)carbonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate|methyl 2-{2,2-dimethyl-1-[(3-methylphenyl)carbonyl]-3-thioxo(4-1,2-dihydroquin olylidene)}-5-(methoxycarbonyl)-1,3-dithiolene-4-carboxylate
| Molecular Formula | C26H23NO5S3 |
|---|---|
| Molecular Weight | 525.07385 g/mol |
| LogP | 5.51012 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 525.07385 |
| Monoisotopic Mass | 525.07385 |
| Heavy Atoms | 35 |
| Complexity | 1312.0026 |
Chemical Identifiers
| CAS Number | 328069-89-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)N2C3=CC=CC=C3C(=C4SC(=C(S4)C(=O)OC)C(=O)OC)C(=S)C2(C)C |
Product Overview
AC1MEUSF (CAS 328069-89-2), with molecular formula C26H23NO5S3 and molecular weight 525.07385 g/mol. IUPAC: dimethyl 2-[2,2-dimethyl-1-(3-methylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.