Triethylammonium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidine-3-acetate

Base Information

• Chemical Name: Triethylammonium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidine-3-acetate
• CAS No.: 68239-70-3
• Deprecated CAS: 355019-54-4
• Molecular Formula: C20H27N3O3S3
• Molecular Weight: 453.6417
• European Community (EC) Number: 269-463-6
• Mol file: 68239-70-3.mol

Synonyms:EINECS 269-463-6;Triethylammonium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidine-3-acetate;68239-70-3

Chemical Property of Triethylammonium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidine-3-acetate

Chemical Property:

• Vapor Pressure: 1.16E-11mmHg at 25°C
• Boiling Point: 453.7°Cat760mmHg
• Flash Point: 228.2°C
• PSA: 151.41000
• Density: g/cm³
• LogP: 3.34290
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 453.12145525
• Heavy Atom Count: 29
• Complexity: 589

Purity/Quality:

98+% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2SC1=C3C(=O)N(C(=S)S3)CC(=O)O.CCN(CC)CC
• Isomeric SMILES: CCN\1C2=CC=CC=C2S/C1=C\3/C(=O)N(C(=S)S3)CC(=O)O.CCN(CC)CC

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