N-(6-Oxo-6H-anthra[9,1-cd]isothiazol-7-yl)butanamide

Base Information

• Chemical Name: N-(6-Oxo-6H-anthra[9,1-cd]isothiazol-7-yl)butanamide
• CAS No.: 61931-40-6
• Molecular Formula: C₁₈H₁₄N₂O₂S
• Molecular Weight: 322.381
• European Community (EC) Number: 612-755-9
• DSSTox Substance ID: DTXSID001217802

Synonyms:SCHEMBL13658606;DTXSID001217802;61931-40-6;N-(6-Oxo-6H-anthra[9,1-cd]isothiazol-7-yl)butanamide

Chemical Property of N-(6-Oxo-6H-anthra[9,1-cd]isothiazol-7-yl)butanamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 530.596°C at 760 mmHg
• Flash Point: 274.695°C
• Density: 1.416g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 322.07759887
• Heavy Atom Count: 23
• Complexity: 497

Purity/Quality:

99% ^*data from raw suppliers

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MSDS Files:

Useful:

• Canonical SMILES: CCCC(=O)NC1=CC=CC2=C1C(=O)C3=C4C2=NSC4=CC=C3

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