(E)-3-phenyl-N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]ethyl]prop-2-enamide

Base Information

• Chemical Name: (E)-3-phenyl-N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]ethyl]prop-2-enamide
• CAS No.: 5147-98-8
• Molecular Formula: C23H22Cl3N5O2S
• Molecular Weight: 538.8771
• DSSTox Substance ID: DTXSID00416228

Synonyms:5147-98-8;(E)-3-phenyl-N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]ethyl]prop-2-enamide;AC1NSAJP;DTXSID00416228

Chemical Property of (E)-3-phenyl-N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]ethyl]prop-2-enamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.47g/cm³
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 537.055979
• Heavy Atom Count: 34
• Complexity: 833

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C=CC3=CC=CC=C3
• Isomeric SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)/C=C/C3=CC=CC=C3

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