dimethyl 2-(1-(2-chlorobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate

Modify Date: 2025-10-20 20:38:20

dimethyl 2-(1-(2-chlorobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate Structure
dimethyl 2-(1-(2-chlorobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate structure
Common Name dimethyl 2-(1-(2-chlorobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
CAS Number 331760-87-3 Molecular Weight 546.078
Density 1.5±0.1 g/cm3 Boiling Point 645.1±65.0 °C at 760 mmHg
Molecular Formula C25H20ClNO5S3 Melting Point N/A
MSDS N/A Flash Point 343.9±34.3 °C

 Names

Name Dimethyl 2-[1-(2-chlorobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene]-1,3-dithiole-4,5-dicarboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 645.1±65.0 °C at 760 mmHg
Molecular Formula C25H20ClNO5S3
Molecular Weight 546.078
Flash Point 343.9±34.3 °C
Exact Mass 545.019226
LogP 5.15
Vapour Pressure 0.0±1.9 mmHg at 25°C
Index of Refraction 1.712
InChIKey ZJOSAPPXXFVRIQ-UHFFFAOYSA-N
SMILES COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3ccccc3Cl)c3ccccc32)S1

 Bioassay

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Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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 Synonyms

Dimethyl 2-[1-(2-chlorobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
1,3-Dithiole-4,5-dicarboxylic acid, 2-[1-(2-chlorobenzoyl)-2,3-dihydro-2,2-dimethyl-3-thioxo-4(1H)-quinolinylidene]-, dimethyl ester
Dimethyl 2-[1-(2-chlorobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene]-1,3-dithiole-4,5-dicarboxylate
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