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

Base Information

• Chemical Name: Propanamide, N-(6-oxo-6H-anthra[9,1-cd]isothiazol-7-yl)-
• CAS No.: 50988-02-8
• Molecular Formula: C17H12 N2 O2 S
• Molecular Weight: 308.35438
• European Community (EC) Number: 256-897-6
• UNII: 79WL111A2C
• DSSTox Substance ID: DTXSID5068605
• Nikkaji Number: J261.605J
• Wikidata: Q81995367
• Mol file: 50988-02-8.mol

Synonyms:50988-02-8;EINECS 256-897-6;Propanamide, N-(6-oxo-6H-anthra[9,1-cd]isothiazol-7-yl)-;79WL111A2C;Propanamide, N-(6-oxo-6H-anthra(9,1-cd)isothiazol-7-yl)-;N-(6-Oxo-6H-anthra[9,1-cd]isothiazol-7-yl)propionamide;N-(6-Oxo-6H-anthra[9,1-cd]isothiazol-7-yl)propanamide;N-(6-Oxo-6H-anthra(9,1-cd)isothiazol-7-yl)propionamide;N-(6-OXO-6H-ANTHRA(9,1-CD)ISOTHIAZOL-7-YL)PROPANAMIDE;UNII-79WL111A2C;DTXSID5068605;SCHEMBL14200980

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

Chemical Property:

• Vapor Pressure: 4.44E-11mmHg at 25°C
• Boiling Point: 524.1°Cat760mmHg
• Flash Point: 270.8°C
• PSA: 90.79000
• Density: 1.459g/cm³
• LogP: 4.50570
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 308.06194880
• Heavy Atom Count: 22
• Complexity: 483

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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