N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea

Base Information

• Chemical Name: N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea
• CAS No.: 6333-69-3
• Molecular Formula: C13H17N3O3S
• Molecular Weight: 295.3574
• NSC Number: 5810
• DSSTox Substance ID: DTXSID80397021
• Mol file: 6333-69-3.mol

Synonyms:6333-69-3;NSC5810;DTXSID80397021;NSC-5810;N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea

Chemical Property of N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea

Chemical Property:

• Vapor Pressure: 7.58E-08mmHg at 25°C
• Boiling Point: 437.3°C at 760 mmHg
• Flash Point: 218.3°C
• Density: 1.28g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 295.09906259
• Heavy Atom Count: 20
• Complexity: 385

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(C)(C)NC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]