1-hexadecyl-3-[(E)-(4-nitrophenyl)methylideneamino]thiourea

Base Information

• Chemical Name: 1-hexadecyl-3-[(E)-(4-nitrophenyl)methylideneamino]thiourea
• CAS No.: 6305-36-8
• Molecular Formula: C24H40N4O2S
• Molecular Weight: 448.665
• NSC Number: 41116
• DSSTox Substance ID: DTXSID00430060

Synonyms:NSC41116;6305-36-8;DTXSID00430060;NSC-41116

Chemical Property of 1-hexadecyl-3-[(E)-(4-nitrophenyl)methylideneamino]thiourea

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 556°Cat760mmHg
• Flash Point: 290.1°C
• Density: 1.07g/cm³
• XLogP3: 9.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 17
• Exact Mass: 448.28719770
• Heavy Atom Count: 31
• Complexity: 489

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=C(C=C1)[N+](=O)[O-]
• Isomeric SMILES: CCCCCCCCCCCCCCCCNC(=S)N/N=C/C1=CC=C(C=C1)[N+](=O)[O-]

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