1-Isothiocyanato-4-[(4-pentylphenyl)ethynyl]benzene

Base Information

• Chemical Name: 1-Isothiocyanato-4-[(4-pentylphenyl)ethynyl]benzene
• CAS No.: 145349-75-3
• Molecular Formula: C20H19NS
• DSSTox Substance ID: DTXSID00708690
• Nikkaji Number: J1.874.774J

Synonyms:145349-75-3;1-Isothiocyanato-4-[(4-pentylphenyl)ethynyl]benzene;SCHEMBL7652716;DTXSID00708690;4-[(4-Pentylphenyl)ethynyl]phenyl isothiocyanate

Chemical Property of 1-Isothiocyanato-4-[(4-pentylphenyl)ethynyl]benzene

Chemical Property:

• XLogP3: 7.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 305.12382078
• Heavy Atom Count: 22
• Complexity: 421

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)N=C=S

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