2-((3-(Carboxymethyl)benzothiazol-2-inylidene)methyl)-1-ethylquinolinium bromide

Base Information

• Chemical Name: 2-((3-(Carboxymethyl)benzothiazol-2-inylidene)methyl)-1-ethylquinolinium bromide
• CAS No.: 4398-75-8
• Molecular Formula: C21H19BrN2O2S
• Molecular Weight: 443.3568
• European Community (EC) Number: 224-528-8
• Mol file: 4398-75-8.mol

Synonyms:EINECS 224-528-8;2-((3-(Carboxymethyl)benzothiazol-2-inylidene)methyl)-1-ethylquinolinium bromide;4398-75-8;2-[[3-(carboxymethyl)benzothiazol-2-inylidene]methyl]-1-ethylquinolinium bromide;C21H19N2O2S.Br;C21-H19-N2-O2-S.Br

Chemical Property of 2-((3-(Carboxymethyl)benzothiazol-2-inylidene)methyl)-1-ethylquinolinium bromide

Chemical Property:

• PSA: 77.18000
• LogP: 2.98130
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 442.03506
• Heavy Atom Count: 27
• Complexity: 552

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+]1=C(C=CC2=CC=CC=C21)C=C3N(C4=CC=CC=C4S3)CC(=O)O.[Br-]
• Isomeric SMILES: CC[N+]1=C(C=CC2=CC=CC=C21)/C=C\3/N(C4=CC=CC=C4S3)CC(=O)O.[Br-]

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