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

Base Information

• Chemical Name: Triethylammonium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-2-thioxothiazolidine-3-acetate
• CAS No.: 68758-84-9
• Molecular Formula: C20H29N3O2S3
• Molecular Weight: 439.6582
• European Community (EC) Number: 272-159-6
• Mol file: 68758-84-9.mol

Synonyms:EINECS 272-159-6;Triethylammonium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-2-thioxothiazolidine-3-acetate;C14H14N2O2S3.C6H15N;68758-84-9;C14-H14-N2-O2-S3.C6-H15-N

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

Chemical Property:

• Vapor Pressure: 3.01E-10mmHg at 25°C
• Boiling Point: 485.7°Cat760mmHg
• Flash Point: 247.6°C
• PSA: 134.34000
• Density: g/cm³
• LogP: 3.81630
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 439.14219070
• Heavy Atom Count: 28
• Complexity: 520

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2SC1=C3CN(C(=S)S3)CC(=O)O.CCN(CC)CC
• Isomeric SMILES: CCN\1C2=CC=CC=C2S/C1=C/3\CN(C(=S)S3)CC(=O)O.CCN(CC)CC