Quinolinium, 1-ethyl-2-((3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene)methyl)-, acetate, hydrate (1:1:3)

Base Information

• Chemical Name: Quinolinium, 1-ethyl-2-((3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene)methyl)-, acetate, hydrate (1:1:3)
• CAS No.: 147366-58-3
• Molecular Formula: C27H27N3O3S2
• Molecular Weight: 505.6516
• ChEMBL ID: CHEMBL34783
• Mol file: 147366-58-3.mol

Synonyms:147366-58-3;Quinolinium, 1-ethyl-2-((3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene)methyl)-, acetate, hydrate (1:1:3);CHEMBL34783;C25H24N3OS2.C2H3O2.3H2O;LS-142338;C25-H24-N3-O-S2.C2-H3-O2.3H2-O

Chemical Property of Quinolinium, 1-ethyl-2-((3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene)methyl)-, acetate, hydrate (1:1:3)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 505.14938408
• Heavy Atom Count: 35
• Complexity: 791

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=CC2=[N+](C3=CC=CC=C3C=C2)CC)SC(=C4N(C5=CC=CC=C5S4)C)C1=O.CC(=O)[O-]
• Isomeric SMILES: CCN1/C(=C/C2=[N+](C3=CC=CC=C3C=C2)CC)/S/C(=C/4\N(C5=CC=CC=C5S4)C)/C1=O.CC(=O)[O-]