2,2-Bis(2H-1,3-benzodithiol-2-yl)cyclopent-4-ene-1,3-dione

Base Information

• Chemical Name: 2,2-Bis(2H-1,3-benzodithiol-2-yl)cyclopent-4-ene-1,3-dione
• CAS No.: 62576-08-3
• Molecular Formula: C19H12O2S4
• DSSTox Substance ID: DTXSID50489967
• Wikidata: Q82333529

Synonyms:62576-08-3;DTXSID50489967;2,2-Bis(2H-1,3-benzodithiol-2-yl)cyclopent-4-ene-1,3-dione

Chemical Property of 2,2-Bis(2H-1,3-benzodithiol-2-yl)cyclopent-4-ene-1,3-dione

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 399.97201432
• Heavy Atom Count: 25
• Complexity: 539

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)SC(S2)C3(C(=O)C=CC3=O)C4SC5=CC=CC=C5S4

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