N-(6-Oxo-6H-anthra(9,1-cd)isothiazol-7-yl)acetamide

Base Information

• Chemical Name: N-(6-Oxo-6H-anthra(9,1-cd)isothiazol-7-yl)acetamide
• CAS No.: 50988-01-7
• Molecular Formula: C16H10 N2 O2 S
• Molecular Weight: 294.3278
• European Community (EC) Number: 256-896-0
• UNII: RW4LN45N94
• DSSTox Substance ID: DTXSID50198986
• Nikkaji Number: J261.604A
• Wikidata: Q83071865
• Mol file: 50988-01-7.mol

Synonyms:50988-01-7;EINECS 256-896-0;N-(6-Oxo-6H-anthra(9,1-cd)isothiazol-7-yl)acetamide;RW4LN45N94;UNII-RW4LN45N94;N-(6-Oxo-6H-anthra[9,1-cd]isothiazol-7-yl)acetamide;Acetamide, N-(6-oxo-6H-anthra(9,1-cd)isothiazol-7-yl)-;SCHEMBL14200992;DTXSID50198986

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

Chemical Property:

• Vapor Pressure: 7.37E-11mmHg at 25°C
• Boiling Point: 518.6°Cat760mmHg
• Flash Point: 267.4°C
• PSA: 90.79000
• Density: 1.511g/cm³
• LogP: 4.11560
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 294.04629874
• Heavy Atom Count: 21
• Complexity: 469

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

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