6-(10,11-Dihydro-11-(methylthio)-5H-pyrido(3,4-c)(1)benzazepin-5-ylidene)hexanoic acid

Base Information

• Chemical Name: 6-(10,11-Dihydro-11-(methylthio)-5H-pyrido(3,4-c)(1)benzazepin-5-ylidene)hexanoic acid
• CAS No.: 127654-19-7
• Molecular Formula: C20H22 N2 O2 S
• Molecular Weight: 354.4659
• Mol file: 127654-19-7.mol

Synonyms:5-(5-Carboxypentylidene)-11-methylthio-5H-10,11-dihydropyrido(3,4-c)(1)benzazepin;6-(10,11-Dihydro-11-(methylthio)-5H-pyrido(3,4-c)(1)benzazepin-5-ylidene)hexanoic acid;Hexanoic acid, 6-(10,11-dihydro-11-(methylthio)-5H-pyrido(3,4-c)(1)benzazepin-5-ylidene)-;127654-19-7;LS-75251

Chemical Property of 6-(10,11-Dihydro-11-(methylthio)-5H-pyrido(3,4-c)(1)benzazepin-5-ylidene)hexanoic acid

Chemical Property:

• Vapor Pressure: 7.28E-16mmHg at 25°C
• Boiling Point: 612.6°Cat760mmHg
• Flash Point: 324.3°C
• Density: 1.26g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 354.14019912
• Heavy Atom Count: 25
• Complexity: 482

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1C2=C(C=CN=C2)C(=CCCCCC(=O)O)C3=CC=CC=C3N1
• Isomeric SMILES: CSC1C2=C(C=CN=C2)/C(=C/CCCCC(=O)O)/C3=CC=CC=C3N1

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