Benzothiazolium, 6-methoxy-2,5-dimethyl-3-(3-sulfopropyl)-, inner salt

Base Information

• Chemical Name: Benzothiazolium, 6-methoxy-2,5-dimethyl-3-(3-sulfopropyl)-, inner salt
• CAS No.: 63815-97-4
• Molecular Formula: C13H17 N O4 S2
• Molecular Weight: 315.4084
• DSSTox Substance ID: DTXSID2070001
• Wikidata: Q81997153

Synonyms:Benzothiazolium, 6-methoxy-2,5-dimethyl-3-(3-sulfopropyl)-, inner salt;63815-97-4;Benzothiazolium, 6-methoxy-2,5-dimethyl-3-(3-sulfopropyl)-, hydroxide, inner salt;3-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate;DTXSID2070001;STK396278;AKOS000547060

Chemical Property of Benzothiazolium, 6-methoxy-2,5-dimethyl-3-(3-sulfopropyl)-, inner salt

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 315.05990037
• Heavy Atom Count: 20
• Complexity: 409

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1OC)SC(=[N+]2CCCS(=O)(=O)[O-])C

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