2-(2-Ethoxybut-1-enyl)-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium

Base Information

• Chemical Name: 2-(2-Ethoxybut-1-enyl)-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium
• CAS No.: 65776-61-6
• Molecular Formula: C17H23NO5S2
• Molecular Weight: 385.4982
• European Community (EC) Number: 265-918-8

Synonyms:EINECS 265-918-8;Anhydro-2-(2-ethoxy-1-butenyl)-5-methoxy-3-(3-sulfopropyl)benzothiazolium hydroxide;65776-61-6;C17H23NO5S2;C17-H23-N-O5-S2;Benzothiazolium, 2-(2-ethoxy-1-butenyl)-5-methoxy-3-(3-sulfopropyl)-, inner salt;Benzothiazolium, 2-(2-ethoxy-1-butenyl)-5-methoxy-3-(3-sulfopropyl)-, hydroxide, inner salt;2-(2-Ethoxybut-1-enyl)-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium;2-(2-Ethoxybut-1-enyl)-5-methoxy-3-(3-sulfonatopropyl)benzothiazolium

Chemical Property of 2-(2-Ethoxybut-1-enyl)-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 385.10176518
• Heavy Atom Count: 25
• Complexity: 532

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)[O-])OCC
• Isomeric SMILES: CC/C(=C/C1=[N+](C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)[O-])/OCC

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