1-[(E)-(4-fluorophenyl)methylideneamino]-3-hexadecylthiourea

Base Information

• Chemical Name: 1-[(E)-(4-fluorophenyl)methylideneamino]-3-hexadecylthiourea
• CAS No.: 7400-40-0
• Molecular Formula: C24H40 F N3 S
• Molecular Weight: 421.6579
• NSC Number: 54346
• DSSTox Substance ID: DTXSID00430106
• Mol file: 7400-40-0.mol

Synonyms:NSC54346;7400-40-0;DTXSID00430106;NSC-54346

Chemical Property of 1-[(E)-(4-fluorophenyl)methylideneamino]-3-hexadecylthiourea

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 503.5°Cat760mmHg
• Flash Point: 258.3°C
• Density: 1.01g/cm³
• XLogP3: 9.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 421.29269762
• Heavy Atom Count: 29
• Complexity: 409

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=C(C=C1)F
• Isomeric SMILES: CCCCCCCCCCCCCCCCNC(=S)N/N=C/C1=CC=C(C=C1)F