3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine

Base Information

• Chemical Name: 3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine
• CAS No.: 27268-50-4
• Molecular Formula: C31H41Cl2N3O6S4
• Molecular Weight: 750.82

Synonyms:

Chemical Property of 3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 196.86000
• Density: g/cm³
• LogP: 8.78990
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 13
• Exact Mass: 749.1255261
• Heavy Atom Count: 46
• Complexity: 1140

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)[O-])C=C3N(C4=C(S3)C=CC(=C4)Cl)CCCS(=O)(=O)O.CCN(CC)CC

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