(2Z)-2-(acridin-9-ylmethylidene)-1-benzothiophen-3-one

Base Information

• Chemical Name: (2Z)-2-(acridin-9-ylmethylidene)-1-benzothiophen-3-one
• CAS No.: 5663-90-1
• Molecular Formula: C22H13NOS
• Molecular Weight: 339.4097
• DSSTox Substance ID: DTXSID30417026
• Wikidata: Q82226674

Synonyms:5663-90-1;ZINC05016751;DTXSID30417026;CCG-2854;AKOS001015544;BIM-0027314.P001;Z56771233

Chemical Property of (2Z)-2-(acridin-9-ylmethylidene)-1-benzothiophen-3-one

Chemical Property:

• Vapor Pressure: 9.54E-14mmHg at 25°C
• Boiling Point: 586.7°Cat760mmHg
• Flash Point: 308.6°C
• Density: 1.392g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 339.07178521
• Heavy Atom Count: 25
• Complexity: 536

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C=C4C(=O)C5=CC=CC=C5S4
• Isomeric SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)/C=C\4/C(=O)C5=CC=CC=C5S4

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