ChemDiv1_022539
(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3-nitrophenyl)methanone
Also Known As: ChemDiv1_022539|Oprea1_862343|Oprea1_877105|DivK1c_003803|HMS651A11|CDS1_002763|BAS 00126824|5-{3-nitrobenzoyl}-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione|AG-690/07588046|SR-01000449751-1|(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3-nitrophenyl)methanone|(8-Methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-2,3-dithia-5-aza-cyclopenta[a]naphthalen-5-yl)-(3-nitro-phenyl)-methanone|(8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(3-nitrophenyl)methanone|(8-methoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)(3-nitrophenyl)methanone|8-methoxy-4,4-dimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5-yl ) 3-nitrophenyl ketone|8-METHOXY-4,4-DIMETHYL-5-(3-NITROBENZOYL)-1H,4H,5H-[1,2]DITHIOLO[3,4-C]QUINOLINE-1-THIONE
| Molecular Formula | C20H16N2O4S3 |
|---|---|
| Molecular Weight | 444.02722 g/mol |
| LogP | 6.01839 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.02722 |
| Monoisotopic Mass | 444.02722 |
| Heavy Atoms | 29 |
| Complexity | 1212.4305 |
Chemical Identifiers
| CAS Number | 301655-55-0 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C=CC(=C3)OC)C(=S)SS2)C |
Product Overview
ChemDiv1_022539 (CAS 301655-55-0), with molecular formula C20H16N2O4S3 and molecular weight 444.02722 g/mol. IUPAC: (8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3-nitrophenyl)methanone.
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