ethyl 5-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate

Base Information

• Chemical Name: ethyl 5-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate
• CAS No.: 4609-53-4
• Molecular Formula: C12H10 N6 O6 S
• Molecular Weight: 366.3094
• NSC Number: 78613
• DSSTox Substance ID: DTXSID00430181
• Mol file: 4609-53-4.mol

Synonyms:NSC78613;4609-53-4;DTXSID00430181;NSC-78613

Chemical Property of ethyl 5-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 565.24°C at 760 mmHg
• Flash Point: 295.647°C
• Density: 1.698g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 366.03825323
• Heavy Atom Count: 25
• Complexity: 537

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(SN=N1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• Isomeric SMILES: CCOC(=O)C1=C(SN=N1)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

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