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

Base Information

• Chemical Name: 1-dodecyl-3-[(E)-(4-nitrophenyl)methylideneamino]thiourea
• CAS No.: 6340-26-7
• Molecular Formula: C20H32 N4 O2 S
• Molecular Weight: 392.5587
• NSC Number: 51380
• DSSTox Substance ID: DTXSID40430089
• Mol file: 6340-26-7.mol

Synonyms:NSC51380;6340-26-7;DTXSID40430089;NSC-51380

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

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 510.543°C at 760 mmHg
• Flash Point: 262.567°C
• Density: 1.111g/cm³
• XLogP3: 7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 392.22459745
• Heavy Atom Count: 27
• Complexity: 432

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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