2-((5-Methyl-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-(3-sulfopropyl)quinolinium hydroxide, inner salt

Base Information

• Chemical Name: 2-((5-Methyl-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-(3-sulfopropyl)quinolinium hydroxide, inner salt
• CAS No.: 65168-09-4
• Molecular Formula: C24H26N2O6S3
• Molecular Weight: 534.668

Synonyms:Quinolinium, 2-((5-methyl-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-(3-sulfopropyl)-, inner salt;2-((5-Methyl-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-(3-sulfopropyl)quinolinium hydroxide, inner salt

Chemical Property of 2-((5-Methyl-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-(3-sulfopropyl)quinolinium hydroxide, inner salt

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 534.09530007
• Heavy Atom Count: 35
• Complexity: 945

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: CC1=CC2=C(C=C1)SC(=CC3=[N+](C4=CC=CC=C4C=C3)CCCS(=O)(=O)[O-])N2CCCS(=O)(=O)O
• Isomeric SMILES: CC1=CC2=C(C=C1)S/C(=C\C3=[N+](C4=CC=CC=C4C=C3)CCCS(=O)(=O)[O-])/N2CCCS(=O)(=O)O

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