BO-Pro 1

Base Information

• Chemical Name: BO-Pro 1
• CAS No.: 157199-57-0
• Molecular Formula: C20H27 N3 S . 2 I
• Molecular Weight: 595.32
• DSSTox Substance ID: DTXSID40420723
• Mol file: 157199-57-0.mol

Synonyms:BO-PRO 1;157199-57-0;trimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]propyl]azanium;diiodide;trimethyl-[3-[4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]propyl]azanium;bo-pro-1;DTXSID40420723;AKOS000814243

Chemical Property of BO-Pro 1

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 37.05000
• Density: g/cm³
• LogP: -3.25850
• Solubility.: Soluble in dimethyl sulfoxide
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 595.00151
• Heavy Atom Count: 26
• Complexity: 435

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2SC1=CC3=CC=[N+](C=C3)CCC[N+](C)(C)C.[I-].[I-]
• Isomeric SMILES: CN\1C2=CC=CC=C2S/C1=C\C3=CC=[N+](C=C3)CCC[N+](C)(C)C.[I-].[I-]

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