2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide

Base Information

• Chemical Name: 2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide
• CAS No.: 5418-73-5
• Molecular Formula: C16H13 N2 O2 S . I
• Molecular Weight: 297.3511
• NSC Number: 10512
• DSSTox Substance ID: DTXSID20420802

Synonyms:5418-73-5;2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide;3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium;iodide;ST50324058;DTXSID20420802;NSC10512;NSC-10512;AKOS002318538

Chemical Property of 2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 423.97425
• Heavy Atom Count: 22
• Complexity: 410

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=C(SC2=CC=CC=C21)C=CC3=CC(=CC=C3)[N+](=O)[O-].[I-]
• Isomeric SMILES: C[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC(=CC=C3)[N+](=O)[O-].[I-]

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