AC1LW5AX
(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(4-nitrophenyl)methanone
Also Known As: ChemDiv1_022845|Oprea1_456200|Oprea1_601349|DivK1c_004109|HMS651O09|CDS1_003069|BAS 00351264|AG-690/07588045|SR-01000449750-1|(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(4-nitrophenyl)methanone|(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(4-nitrophenyl)methanone|8-ethoxy-4,4-dimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5-yl) 4-nitrophenyl ketone|8-ETHOXY-4,4-DIMETHYL-5-(4-NITROBENZOYL)-1H,4H,5H-[1,2]DITHIOLO[3,4-C]QUINOLINE-1-THIONE|8-ethoxy-4,4-dimethyl-5-(4-nitrobenzoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione|8-ethoxy-5-{4-nitrobenzoyl}-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
| Molecular Formula | C21H18N2O4S3 |
|---|---|
| Molecular Weight | 458.04288 g/mol |
| LogP | 6.40849 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.04288 |
| Monoisotopic Mass | 458.04288 |
| Heavy Atoms | 30 |
| Complexity | 1211.7346 |
Chemical Identifiers
| CAS Number | 301655-54-9 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
AC1LW5AX (CAS 301655-54-9), with molecular formula C21H18N2O4S3 and molecular weight 458.04288 g/mol. IUPAC: (8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(4-nitrophenyl)methanone.