2-[(4-Carboxyphenyl)sulfanyl]benzene-1,3-dicarboxylic acid

Base Information

• Chemical Name: 2-[(4-Carboxyphenyl)sulfanyl]benzene-1,3-dicarboxylic acid
• CAS No.: 51762-65-3
• Molecular Formula: C15H10O6S
• DSSTox Substance ID: DTXSID50605140
• Wikidata: Q82503302

Synonyms:51762-65-3;SCHEMBL11632802;DTXSID50605140;2-[(4-Carboxyphenyl)sulfanyl]benzene-1,3-dicarboxylic acid

Chemical Property of 2-[(4-Carboxyphenyl)sulfanyl]benzene-1,3-dicarboxylic acid

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 318.01980921
• Heavy Atom Count: 22
• Complexity: 421

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)C(=O)O)SC2=CC=C(C=C2)C(=O)O)C(=O)O

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