2-[(5E)-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetic acid

Base Information

• Chemical Name: 2-[(5E)-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetic acid
• CAS No.: 13350-41-9
• Molecular Formula: C22H19 N3 O4 S
• Molecular Weight: 421.47
• European Community (EC) Number: 236-399-5
• Nikkaji Number: J213.862J
• Mol file: 13350-41-9.mol

Synonyms:13350-41-9

Chemical Property of 2-[(5E)-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetic acid

Chemical Property:

• Vapor Pressure: 3.9E-12mmHg at 25°C
• Boiling Point: 531.7°Cat760mmHg
• Flash Point: 275.4°C
• PSA: 111.01000
• Density: 1.48g/cm³
• LogP: 2.92090
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 421.10962727
• Heavy Atom Count: 30
• Complexity: 774

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=C2OC1=CC=C3C(=O)N(C(=S)N3CC(=O)O)C4=CC=CC=C4
• Isomeric SMILES: CCN\1C2=CC=CC=C2O/C1=C\C=C\3/C(=O)N(C(=S)N3CC(=O)O)C4=CC=CC=C4

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