![1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium structure](/static/products/3700/370071-13-9.webp)
1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium
S-(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-2-ium-1-yl) 2-methylpropanethioate
Also Known As: BAS 00225058|1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium|AG-690/34160013|(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)-(2-methylpropanoyl)sulfanium|1-(4,4-dimethyl(4,5-dihydro-1,2-dithiolo[3,4-c]quinolinylthio))-2-methylpropan -1-one|S-(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-2-ium-1-yl) 2-methylpropanethioate|4,4-dimethyl-1-[(2-methylpropanoyl)sulfanyl]-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium
| Molecular Formula | C16H18NOS3+ |
|---|---|
| Molecular Weight | 336.05505 g/mol |
| LogP | 5.693 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.05505 |
| Monoisotopic Mass | 336.05505 |
| Heavy Atoms | 21 |
| Complexity | 703.29767 |
Chemical Identifiers
| CAS Number | 370071-13-9 |
|---|---|
| SMILES | CC(C)C(=O)SC1=[S+]SC2=C1C3=CC=CC=C3NC2(C)C |
Product Overview
1-(isobutyrylsulfanyl)-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium (CAS 370071-13-9), with molecular formula C16H18NOS3+ and molecular weight 336.05505 g/mol. IUPAC: S-(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-2-ium-1-yl) 2-methylpropanethioate.