3-Methyl-2-(3-{1-[3-(trimethylazaniumyl)propyl]pyridin-4(1H)-ylidene}prop-2-en-1-yl)-1,3-benzothiazol-3-ium diiodide

Base Information

• Chemical Name: 3-Methyl-2-(3-{1-[3-(trimethylazaniumyl)propyl]pyridin-4(1H)-ylidene}prop-2-en-1-yl)-1,3-benzothiazol-3-ium diiodide
• CAS No.: 173357-16-9
• Molecular Formula: C22H29I2N3S
• Molecular Weight: 621.3597
• DSSTox Substance ID: DTXSID20698988
• Mol file: 173357-16-9.mol

Synonyms:DTXSID20698988;3-Methyl-2-(3-{1-[3-(trimethylazaniumyl)propyl]pyridin-4(1H)-ylidene}prop-2-en-1-yl)-1,3-benzothiazol-3-ium diiodide

Chemical Property of 3-Methyl-2-(3-{1-[3-(trimethylazaniumyl)propyl]pyridin-4(1H)-ylidene}prop-2-en-1-yl)-1,3-benzothiazol-3-ium diiodide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 37.05000
• Density: g/cm³
• LogP: -2.59340
• Solubility.: Soluble in dimethyl sulfoxide
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 621.01716
• Heavy Atom Count: 28
• Complexity: 579

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=C(SC2=CC=CC=C21)CC=C=C3C=CN(C=C3)CCC[N+](C)(C)C.[I-].[I-]