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

Base Information

• Chemical Name: (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(4-nitrophenyl)amino]prop-2-enenitrile
• CAS No.: 5624-72-6
• Molecular Formula: C18H11ClN4O2S
• Molecular Weight: 382.8235
• DSSTox Substance ID: DTXSID60386251
• Nikkaji Number: J3.657.890D
• Wikidata: Q82179556

Synonyms:5624-72-6;ZINC04817199;Cambridge id 5624726;DTXSID60386251;STK833945;AKOS005623574;J3.657.890D;2-[4-(4-Chlorophenyl)thiazole-2-yl]-3-(4-nitroanilino)acrylonitrile;(2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(4-nitrophenyl)amino]prop-2-enenitrile

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

Chemical Property:

• Vapor Pressure: 1.33E-13mmHg at 25°C
• Boiling Point: 583.5°Cat760mmHg
• Flash Point: 306.7°C
• Density: 1.456g/cm³
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 382.0291245
• Heavy Atom Count: 26
• Complexity: 572

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CSC(=N2)C(=CNC3=CC=C(C=C3)[N+](=O)[O-])C#N)Cl
• Isomeric SMILES: C1=CC(=CC=C1C2=CSC(=N2)/C(=C/NC3=CC=C(C=C3)[N+](=O)[O-])/C#N)Cl

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