1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene

Base Information

• Chemical Name: 1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
• CAS No.: 17816-12-5
• Molecular Formula: C15H10N2O2S
• Molecular Weight: 282.3171
• NSC Number: 218431
• DSSTox Substance ID: DTXSID40421013

Synonyms:NSC218431;17816-12-5;DTXSID40421013;NSC-218431

Chemical Property of 1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene

Chemical Property:

• Vapor Pressure: 1.49E-07mmHg at 25°C
• Boiling Point: 440.7°Cat760mmHg
• Flash Point: 220.3°C
• Density: 1.19g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 282.04629874
• Heavy Atom Count: 20
• Complexity: 397

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC2=CC=C(C=C2)[N+](=O)[O-])N=C=S
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)[N+](=O)[O-])N=C=S

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