2-((3-Ethyl-5-methoxy-3H-benzothiazol-2-ylidene)methyl)-1-(3-sulphonatopropyl)naphtho(1,2-d)thiazolium

Base Information

• Chemical Name: 2-((3-Ethyl-5-methoxy-3H-benzothiazol-2-ylidene)methyl)-1-(3-sulphonatopropyl)naphtho(1,2-d)thiazolium
• CAS No.: 94166-45-7
• Molecular Formula: C25H24 N2 O4 S3
• Molecular Weight: 512.66406
• European Community (EC) Number: 303-340-0
• Mol file: 94166-45-7.mol

Synonyms:94166-45-7;EINECS 303-340-0;2-((3-Ethyl-5-methoxy-3H-benzothiazol-2-ylidene)methyl)-1-(3-sulphonatopropyl)naphtho(1,2-d)thiazolium;Naphtho[1,2-d]thiazolium,2-[(3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl]-1-(3-sulfopropyl)-,inner salt

Chemical Property of 2-((3-Ethyl-5-methoxy-3H-benzothiazol-2-ylidene)methyl)-1-(3-sulphonatopropyl)naphtho(1,2-d)thiazolium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 512.08982077
• Heavy Atom Count: 34
• Complexity: 834

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCN1C2=C(C=CC(=C2)OC)SC1=CC3=[N+](C4=C(S3)C=CC5=CC=CC=C54)CCCS(=O)(=O)[O-]
• Isomeric SMILES: CCN\1C2=C(C=CC(=C2)OC)S/C1=C\C3=[N+](C4=C(S3)C=CC5=CC=CC=C54)CCCS(=O)(=O)[O-]

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