(1R,5R)-1,5-dioxo-1lambda4,5lambda4-benzodithiepin-3-one

Base Information

• Chemical Name: (1R,5R)-1,5-dioxo-1lambda4,5lambda4-benzodithiepin-3-one
• CAS No.: 183595-53-1
• Molecular Formula: C₉H₈O₃S₂
• Molecular Weight: 228.293
• DSSTox Substance ID: DTXSID80446881
• Wikidata: Q82265621

Synonyms:183595-53-1;CTK4D8537;DTXSID80446881;(1R,5R)-1,5-dioxo-1lambda4,5lambda4-benzodithiepin-3-one

Chemical Property of (1R,5R)-1,5-dioxo-1lambda4,5lambda4-benzodithiepin-3-one

Chemical Property:

• Boiling Point: 567.2±49.0 °C(Predicted)
• Density: 1?+-.0.1 g/cm3(Predicted)
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 227.99148646
• Heavy Atom Count: 14
• Complexity: 272

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)CS(=O)C2=CC=CC=C2S1=O
• Isomeric SMILES: C1C(=O)C[S@@](=O)C2=CC=CC=C2[S@@]1=O

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