5,5-Dioxo-5H-5lambda~6~-thianthrene-3-carboxylic acid

Base Information

• Chemical Name: 5,5-Dioxo-5H-5lambda~6~-thianthrene-3-carboxylic acid
• CAS No.: 51763-25-8
• Molecular Formula: C13H8O4S2
• DSSTox Substance ID: DTXSID80606509
• Wikidata: Q82505302
• Mol file: 51763-25-8.mol

Synonyms:51763-25-8;5,5-Dioxo-5H-5lambda~6~-thianthrene-3-carboxylic acid;SCHEMBL11548106;DTXSID80606509;3-carboxythianthrene-5,5-dioxide;ITTPKTWJMJMKEW-UHFFFAOYSA-N

Chemical Property of 5,5-Dioxo-5H-5lambda~6~-thianthrene-3-carboxylic acid

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 291.98640108
• Heavy Atom Count: 19
• Complexity: 468

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)SC3=C(S2(=O)=O)C=C(C=C3)C(=O)O

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