(E)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyanilino)prop-2-enenitrile

Base Information

• Chemical Name: (E)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyanilino)prop-2-enenitrile
• CAS No.: 5618-33-7
• Molecular Formula: C21H19N3OS
• Molecular Weight: 361.4601
• DSSTox Substance ID: DTXSID30367294
• Wikidata: Q82153047
• Mol file: 5618-33-7.mol

Synonyms:5618-33-7;(E)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyanilino)prop-2-enenitrile;ZINC01190618;Cambridge id 5618337;DTXSID30367294

Chemical Property of (E)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyanilino)prop-2-enenitrile

Chemical Property:

• Vapor Pressure: 1.17E-11mmHg at 25°C
• Boiling Point: 538.3°C at 760 mmHg
• Flash Point: 279.4°C
• Density: 1.221g/cm³
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 361.12488341
• Heavy Atom Count: 26
• Complexity: 513

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C2=CSC(=N2)C(=CNC3=CC=C(C=C3)OC)C#N
• Isomeric SMILES: CCC1=CC=C(C=C1)C2=CSC(=N2)/C(=C/NC3=CC=C(C=C3)OC)/C#N