6-Methyl-3-[(4-nitrophenyl)methyl]-1,3-benzothiazol-3-ium bromide

Base Information

• Chemical Name: 6-Methyl-3-[(4-nitrophenyl)methyl]-1,3-benzothiazol-3-ium bromide
• CAS No.: 89542-60-9
• Molecular Formula: C15H13N2O2S.Br
• DSSTox Substance ID: DTXSID20522734

Synonyms:89542-60-9;DTXSID20522734;6-Methyl-3-[(4-nitrophenyl)methyl]-1,3-benzothiazol-3-ium bromide

Chemical Property of 6-Methyl-3-[(4-nitrophenyl)methyl]-1,3-benzothiazol-3-ium bromide

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 363.98811
• Heavy Atom Count: 21
• Complexity: 352

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)[N+](=CS2)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

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