2,5-Cyclohexadiene-1,4-dione, 2-[(4-methylphenyl)sulfonyl]-

Base Information

• Chemical Name: 2,5-Cyclohexadiene-1,4-dione, 2-[(4-methylphenyl)sulfonyl]-
• CAS No.: 59222-21-8
• Molecular Formula: C13H10O4S
• DSSTox Substance ID: DTXSID60482424
• Nikkaji Number: J3.494.436I
• Wikidata: Q82318724

Synonyms:59222-21-8;2,5-Cyclohexadiene-1,4-dione, 2-[(4-methylphenyl)sulfonyl]-;SCHEMBL9626301;DTXSID60482424;2-(toluene-4-sulfonyl)-[1,4]benzoquinone

Chemical Property of 2,5-Cyclohexadiene-1,4-dione, 2-[(4-methylphenyl)sulfonyl]-

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 262.02997997
• Heavy Atom Count: 18
• Complexity: 526

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=CC(=O)C=CC2=O

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