AC1MJHCE
1-(4,4-dimethyl-8-nitro-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-3-methylbutan-1-one
Also Known As: Oprea1_201576|BAS 00126868|SR-01000449759-1|1-(4,4-dimethyl-8-nitro-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-3-methylbutan-1-one|1-(4,4-dimethyl-8-nitro-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5-y l))-3-methylbutan-1-one|1-(4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-methylbutan-1-one|1-(4,4-dimethyl-8-nitro-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)-3-methylbutan-1-one|1-{4,4-DIMETHYL-8-NITRO-1-SULFANYLIDENE-1H,4H,5H-[1,2]DITHIOLO[3,4-C]QUINOLIN-5-YL}-3-METHYLBUTAN-1-ONE
| Molecular Formula | C17H18N2O3S3 |
|---|---|
| Molecular Weight | 394.04794 g/mol |
| LogP | 5.74209 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.04794 |
| Monoisotopic Mass | 394.04794 |
| Heavy Atoms | 25 |
| Complexity | 927.45953 |
Chemical Identifiers
| CAS Number | 301655-69-6 |
|---|---|
| SMILES | CC(C)CC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C3=C(C1(C)C)SSC3=S |
Product Overview
AC1MJHCE (CAS 301655-69-6), with molecular formula C17H18N2O3S3 and molecular weight 394.04794 g/mol. IUPAC: 1-(4,4-dimethyl-8-nitro-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-3-methylbutan-1-one.
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