(5E)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

Base Information

• Chemical Name: (5E)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
• CAS No.: 5659-00-7
• Molecular Formula: C18H13 N3 O
• Molecular Weight: 395.4186
• DSSTox Substance ID: DTXSID10362005
• Wikidata: Q82144692
• Mol file: 5659-00-7.mol

Synonyms:5659-00-7;ZINC01195061;DTXSID10362005;SMSF0006712;AKOS000321988;CB08446;BIM-0006267.P001

Chemical Property of (5E)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

Chemical Property:

• Vapor Pressure: 3.55E-10mmHg at 25°C
• Boiling Point: 501.2°Cat760mmHg
• Flash Point: 256.9°C
• Density: 1.48g/cm³
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 395.02615546
• Heavy Atom Count: 26
• Complexity: 586

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(F)(F)F
• Isomeric SMILES: COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(F)(F)F