(2E)-3-[(4-bromophenyl)amino]-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Base Information

• Chemical Name: (2E)-3-[(4-bromophenyl)amino]-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
• CAS No.: 5617-53-8
• Molecular Formula: C20H16BrN3O2S
• Molecular Weight: 442.3289
• DSSTox Substance ID: DTXSID10365551
• Wikidata: Q82150315

Synonyms:5617-53-8;AC1LYO6V;DTXSID10365551;STK834246;AKOS005623780;(2E)-3-[(4-bromophenyl)amino]-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Chemical Property of (2E)-3-[(4-bromophenyl)amino]-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Chemical Property:

• Vapor Pressure: 8.91E-13mmHg at 25°C
• Boiling Point: 564.8°Cat760mmHg
• Flash Point: 295.4°C
• Density: 1.458g/cm³
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 441.01466
• Heavy Atom Count: 27
• Complexity: 559

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2=CSC(=N2)C(=CNC3=CC=C(C=C3)Br)C#N)OC
• Isomeric SMILES: COC1=C(C=C(C=C1)C2=CSC(=N2)/C(=C/NC3=CC=C(C=C3)Br)/C#N)OC

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