3-Ethyl-2,5,6-trimethyl-1,3-benzothiazol-3-ium iodide

Base Information

• Chemical Name: 3-Ethyl-2,5,6-trimethyl-1,3-benzothiazol-3-ium iodide
• CAS No.: 53046-83-6
• Molecular Formula: C₁₂H₁₆NS*I
• Molecular Weight: 333.236
• DSSTox Substance ID: DTXSID80539227
• Mol file: 53046-83-6.mol

Synonyms:53046-83-6;3-Ethyl-2,5,6-trimethyl-1,3-benzothiazol-3-ium iodide;DTXSID80539227

Chemical Property of 3-Ethyl-2,5,6-trimethyl-1,3-benzothiazol-3-ium iodide

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 333.00482
• Heavy Atom Count: 15
• Complexity: 207

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+]1=C(SC2=C1C=C(C(=C2)C)C)C.[I-]

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