Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester

Base Information

• Chemical Name: Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester
• CAS No.: 113520-78-8
• Molecular Formula: C₈H₁₃N₃O₄S
• Molecular Weight: 247.275
• DSSTox Substance ID: DTXSID90383854
• Mol file: 113520-78-8.mol

Synonyms:113520-78-8;Propanedioic acid, 2-[2-(aminothioxomethyl)hydrazinylidene]-, 1,3-diethyl ester;Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester;1,3-diethyl 2-[(carbamothioylamino)imino]propanedioate;DTXSID90383854;MFCD02090145

Chemical Property of Propanedioic acid, [(aminothioxomethyl)hydrazono]-, diethyl ester

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 247.06267708
• Heavy Atom Count: 16
• Complexity: 296

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(=NNC(=S)N)C(=O)OCC

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