Dimethyl 2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
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Basic information
- CAS
306272-79-7- Standard SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)C(C)C)c3cc(C)c(C)cc32)S1- InChIKey
UCSVKRBSUJCYBZ-UHFFFAOYSA-N- Molecular formula
- C24H27NO5S3
- Average molar mass
- 505.7 g/mol
- Monoisotopic mass
- 505.10513648
Names & identifiers
- Preferred name
- Dimethyl 2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- English name
- dimethyl 2-(1-isobutyryl-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- Molecular formula
- C24H27NO5S3
- Molecular weight
- 505.67
Names & synonyms
306272-79-7dimethyl 2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateCDS1_002901ChemDiv1_022677DivK1c_003941HMS651G17STK033967AKOS000618090EU-0006684ST50102992AG-690/11453571SR-01000449803
Show more names
1,3-Dithiole-4,5-dicarboxylic acid, 2-[2,3-dihydro-2,2,6,7-tetramethyl-1-(2-methyl-1-oxopropyl)-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
SR-01000449803-1dimethyl 2-(1-isobutyryl-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-(1-isobutyryl-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylatemethyl 5-(methoxycarbonyl)-2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-thio xo(4-1,2-dihydroquinolylidene)]-1,3-dithiolene-4-carboxylate
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 922
Physicochemical properties
- Boiling point
- 648.9 · 648.9±65.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- -1.23 · -1.23±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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