2-(Methylthio)-1-(3-sulphonatopropyl)quinolinium

Base Information

• Chemical Name: 2-(Methylthio)-1-(3-sulphonatopropyl)quinolinium
• CAS No.: 68239-09-8
• Molecular Formula: C13H15NO3S2
• Molecular Weight: 297.3931
• European Community (EC) Number: 269-422-2
• UNII: J3VF8L4BCG
• DSSTox Substance ID: DTXSID2071312
• Wikidata: Q81998917
• Mol file: 68239-09-8.mol

Synonyms:rubradiric acid A

Chemical Property of 2-(Methylthio)-1-(3-sulphonatopropyl)quinolinium

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 297.04933569
• Heavy Atom Count: 19
• Complexity: 367

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CSC1=[N+](C2=CC=CC=C2C=C1)CCCS(=O)(=O)[O-]

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