3-Ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole

Base Information

• Chemical Name: 3-Ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole
• CAS No.: 6826-37-5
• Molecular Formula: C31H35N2S+
• Molecular Weight: 467.6875
• DSSTox Substance ID: DTXSID00410382

Synonyms:6826-37-5;AC1NPZGC;DTXSID00410382

Chemical Property of 3-Ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 467.25209530
• Heavy Atom Count: 34
• Complexity: 823

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=C(C=C(C=C2)C)SC1=CC3=CC(=CC4=[N+](C=CC5=CC=CC=C54)CC)CC(C3)(C)C

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