3-[(4Z)-4-[(E,4Z)-4-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)but-2-enylidene]quinolin-1-yl]propane-1-sulfonic acid

Base Information

• Chemical Name: 3-[(4Z)-4-[(E,4Z)-4-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)but-2-enylidene]quinolin-1-yl]propane-1-sulfonic acid
• CAS No.: 71960-70-8
• Molecular Formula: C21H22N2O5S2
• Molecular Weight: 446.5398
• Mol file: 71960-70-8.mol

Synonyms:NK 2367;NK-2367

Chemical Property of 3-[(4Z)-4-[(E,4Z)-4-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)but-2-enylidene]quinolin-1-yl]propane-1-sulfonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.45g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 446.09701415
• Heavy Atom Count: 30
• Complexity: 899

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=O)C(=CC=CC=C2C=CN(C3=CC=CC=C23)CCCS(=O)(=O)O)OC1=S
• Isomeric SMILES: CCN1C(=O)/C(=C/C=C/C=C\2/C=CN(C3=CC=CC=C23)CCCS(=O)(=O)O)/OC1=S