ethyl (2Z)-2-(2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4-carboxylate

Base Information

• Chemical Name: ethyl (2Z)-2-(2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4-carboxylate
• CAS No.: 5815-87-2
• Molecular Formula: C18H19NO2S3
• Molecular Weight: 377.544
• DSSTox Substance ID: DTXSID70386742
• ChEMBL ID: CHEMBL4971969

Synonyms:5815-87-2;ethyl (2Z)-2-(2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4-carboxylate;ZINC00849808;CHEMBL4971969;HMS666K15;DTXSID70386742;STK395176;AKOS000620331;PD148646;BIM-0034389.P001;SR-01000528323;SR-01000528323-1;(Z)-ethyl 2-(2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4-carboxylate;ethyl 2-(2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4-carboxylate;ethyl 2-[2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinyliden]-1,3-dithiole-4-carboxylate

Chemical Property of ethyl (2Z)-2-(2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4-carboxylate

Chemical Property:

• Vapor Pressure: 8.63E-10mmHg at 25°C
• Boiling Point: 491.1°Cat760mmHg
• Flash Point: 250.8°C
• Density: 1.35g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 377.05779237
• Heavy Atom Count: 24
• Complexity: 624

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CSC(=C2C3=C(C=CC(=C3)C)NC(C2=S)(C)C)S1
• Isomeric SMILES: CCOC(=O)C1=CS/C(=C/2\C3=C(C=CC(=C3)C)NC(C2=S)(C)C)/S1

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