diethyl 2-[(1S)-2-nitro-1-thiophen-2-ylethyl]propanedioate

Base Information

• Chemical Name: diethyl 2-[(1S)-2-nitro-1-thiophen-2-ylethyl]propanedioate
• CAS No.: 620960-34-1
• Molecular Formula: C13H17NO6S
• DSSTox Substance ID: DTXSID40479150
• Nikkaji Number: J2.757.551J
• Wikidata: Q82313075

Synonyms:620960-34-1;CTK2C7337;diethyl 2-[(1S)-2-nitro-1-thiophen-2-ylethyl]propanedioate;DTXSID40479150

Chemical Property of diethyl 2-[(1S)-2-nitro-1-thiophen-2-ylethyl]propanedioate

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 315.07765844
• Heavy Atom Count: 21
• Complexity: 365

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(C[N+](=O)[O-])C1=CC=CS1)C(=O)OCC
• Isomeric SMILES: CCOC(=O)C([C@@H](C[N+](=O)[O-])C1=CC=CS1)C(=O)OCC

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