2-((3-(carboxymethyl)-2(3H)-benzothiazolylidene)methyl)-1-ethylquinolinium, inner salt

Base Information

• Chemical Name: 2-((3-(carboxymethyl)-2(3H)-benzothiazolylidene)methyl)-1-ethylquinolinium, inner salt
• CAS No.: 53288-83-8
• Deprecated CAS: 151419-40-8
• Molecular Formula: C21H18N2O2S
• Molecular Weight: 362.4448

Synonyms:53288-83-8;2-((3-(carboxymethyl)-2(3H)-benzothiazolylidene)methyl)-1-ethylquinolinium, inner salt;Quinolinium, 2-((3-(carboxymethyl)-2(3H)-benzothiazolylidene)methyl)-1-ethyl-, inner salt;2-[[3-(carboxymethyl)-2(3H)-benzothiazolylidene]methyl]-1-ethylquinolinium, inner salt;C21H18N2O2S;Quinolinium, 2-[[3-(carboxymethyl)-2(3H)-benzothiazolylidene]methyl]-1-ethyl-, inner salt;Quinolinium, 2-[[3-(carboxymethyl)-2(3H)-benzothiazolylidene]methyl]-1-ethyl-

Chemical Property of 2-((3-(carboxymethyl)-2(3H)-benzothiazolylidene)methyl)-1-ethylquinolinium, inner salt

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 17.07000
• Density: g/cm³
• LogP: 8.41620
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 362.10889899
• Heavy Atom Count: 26
• Complexity: 547

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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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-]

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