8-(5-(Methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)octanoic acid

Base Information

• Chemical Name: 8-(5-(Methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)octanoic acid
• CAS No.: 127653-92-3
• Molecular Formula: C22H24 N2 O2 S
• Molecular Weight: 380.5032
• Mol file: 127653-92-3.mol

Synonyms:8-(5-(Methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)octanoic acid;127653-92-3;Octanoic acid, 8-(5-(methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-;LS-97989

Chemical Property of 8-(5-(Methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)octanoic acid

Chemical Property:

• Vapor Pressure: 5.36E-14mmHg at 25°C
• Boiling Point: 573.6°C at 760 mmHg
• Flash Point: 300.7°C
• Density: 1.19g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 380.15584919
• Heavy Atom Count: 27
• Complexity: 561

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC2=CC=CC=C2C(=CCCCCCCC(=O)O)C3=C1C=CN=C3
• Isomeric SMILES: CSC1=NC2=CC=CC=C2/C(=C\CCCCCCC(=O)O)/C3=C1C=CN=C3

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