2-[(E)-2-(3-aminophenyl)ethenyl]-6-[4-(4-butylphenyl)butylthio]methylpyridine

Base Information

• Chemical Name: 2-[(E)-2-(3-aminophenyl)ethenyl]-6-[4-(4-butylphenyl)butylthio]methylpyridine
• CAS No.: 140133-61-5
• Molecular Formula: C28H34N2S
• DSSTox Substance ID: DTXSID901125048

Synonyms:SCHEMBL9561376;RWSDHZAGKLKNBK-VHEBQXMUSA-N;DTXSID901125048;2-[(E)-2-(3-aminophenyl)ethenyl]-6-[4-(4-butylphenyl)butylthio]methylpyridine;140133-61-5;Benzenamine, 3-[2-[6-[[[4-(4-butylphenyl)butyl]thio]methyl]-2-pyridinyl]ethenyl]-, (E)-

Chemical Property of 2-[(E)-2-(3-aminophenyl)ethenyl]-6-[4-(4-butylphenyl)butylthio]methylpyridine

Chemical Property:

• XLogP3: 7.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 430.24427027
• Heavy Atom Count: 31
• Complexity: 485

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MSDS Files:

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)CCCCSCC2=NC(=CC=C2)C=CC3=CC(=CC=C3)N
• Isomeric SMILES: CCCCC1=CC=C(C=C1)CCCCSCC2=NC(=CC=C2)/C=C/C3=CC(=CC=C3)N

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