Basic information
- CAS
332044-04-9- Standard SMILES
CCOC(=O)c1ccc(-n2sc3c(c2=S)-c2cc(C)c(C)cc2NC3(C)C)cc1- InChIKey
OQRDFZORALGWIY-UHFFFAOYSA-N- Molecular formula
- C23H24N2O2S2
- Average molar mass
- 424.6 g/mol
Names & identifiers
- Preferred name
- ethyl 4-(4,4,7,8-tetramethyl-1-thioxo-4,5-dihydroisothiazolo[5,4-c]quinolin-2(1H)-yl)benzoate
- IUPAC
- ethyl 4-(4,4,7,8-tetramethyl-1-sulfanylidene-5H-[1,2]thiazolo[5,4-c]quinolin-2-yl)benzoate
- English name
- ethyl 4-(4,4,7,8-tetramethyl-1-thioxo-4,5-dihydroisothiazolo[5,4-c]quinolin-2(1H)-yl)benzoate
- Molecular formula
- C23H24N2O2S2
- Molecular weight
- 424.58
Names & synonyms
ethyl 4-(4,4,7,8-tetramethyl-1-thioxo-4,5-dihydroisothiazolo[5,4-c]quinolin-2(1H)-yl)benzoateOprea1_028890Oprea1_822352STK001933AKOS000620316332044-04-9ST50338131AG-690/12249312ethyl 4-(4,4,7,8-tetramethyl-1-thioxo-2,4,5-trihydroisothiazolo[5,4-c]quinolin -2-yl)benzoateethyl 4-(4,4,7,8-tetramethyl-1-thioxo-4,5-dihydro[1,2]thiazolo[5,4-c]quinolin-2(1H)-yl)benzoateETHYL 4-{4,4,7,8-TETRAMETHYL-1-SULFANYLIDENE-1H,2H,4H,5H-[1,2]THIAZOLO[5,4-C]QUINOLIN-2-YL}BENZOATEBenzoic acid, 4-(4,5-dihydro-4,4,7,8-tetramethyl-1-thioxoisothiazolo[5,4-c]quinolin-2(1H)-yl)-, ethyl ester
Database identifiers
- CAS
332044-04-9
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 712
Physicochemical properties
- Boiling point
- 595.7 · 595.7±60.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 2.79 · 2.79±0.40(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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