Propanedioic acid, [(2-thienylamino)methylene]-, diethyl ester

Base Information

• Chemical Name: Propanedioic acid, [(2-thienylamino)methylene]-, diethyl ester
• CAS No.: 59713-52-9
• Molecular Formula: C12H15NO4S
• Molecular Weight: 269.31700
• DSSTox Substance ID: DTXSID60469513

Synonyms:59713-52-9;Propanedioic acid, [(2-thienylamino)methylene]-, diethyl ester;SCHEMBL13778434;DTXSID60469513;diethyl 2-[(thiophen-2-ylamino)methylene]malonate

Chemical Property of Propanedioic acid, [(2-thienylamino)methylene]-, diethyl ester

Chemical Property:

• Melting Point: 39-40 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• Boiling Point: 338.3±42.0 °C(Predicted)
• PSA: 92.87000
• Density: 1.256±0.06 g/cm3(Predicted)
• LogP: 2.24310
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 269.07217913
• Heavy Atom Count: 18
• Complexity: 310

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=CNC1=CC=CS1)C(=O)OCC

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