(E)-2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine

Base Information

• Chemical Name: (E)-2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine
• CAS No.: 40576-72-5
• Molecular Formula: C₁₀H₁₂N₂O₂S
• Molecular Weight: 224.283
• NSC Number: 268110
• DSSTox Substance ID: DTXSID40429670
• Mol file: 40576-72-5.mol

Synonyms:NSC268110;40576-72-5;DTXSID40429670;NSC-268110

Chemical Property of (E)-2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine

Chemical Property:

• Vapor Pressure: 0.000135mmHg at 25°C
• Boiling Point: 344°Cat760mmHg
• Flash Point: 161.9°C
• Density: 1.19g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 224.06194880
• Heavy Atom Count: 15
• Complexity: 238

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C=NSC1=CC=CC(=C1)[N+](=O)[O-]
• Isomeric SMILES: CC(C)/C=N/SC1=CC=CC(=C1)[N+](=O)[O-]