Ethyl (6-nitro-1,3-benzothiazole-2-sulfonyl)acetate

Base Information

• Chemical Name: Ethyl (6-nitro-1,3-benzothiazole-2-sulfonyl)acetate
• CAS No.: 76151-70-7
• Molecular Formula: C11H10N2O6S2
• Molecular Weight: 330.33700
• DSSTox Substance ID: DTXSID00504972
• Wikidata: Q82359779

Synonyms:76151-70-7;Ethyl (6-nitro-1,3-benzothiazole-2-sulfonyl)acetate;DTXSID00504972

Chemical Property of Ethyl (6-nitro-1,3-benzothiazole-2-sulfonyl)acetate

Chemical Property:

• Melting Point: 141-142 °C(Solv: ethanol (64-17-5); acetone (67-64-1))
• Boiling Point: 518.8±56.0 °C(Predicted)
• PSA: 155.77000
• Density: 1.551±0.06 g/cm3(Predicted)
• LogP: 3.14530
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 329.99802839
• Heavy Atom Count: 21
• Complexity: 512

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CS(=O)(=O)C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

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