3,5-Bis{[(4-methoxyphenyl)methyl]sulfanyl}pyridine-2,6-dicarboxylic acid

Base Information

• Chemical Name: 3,5-Bis{[(4-methoxyphenyl)methyl]sulfanyl}pyridine-2,6-dicarboxylic acid
• CAS No.: 61830-19-1
• Molecular Formula: C23H21NO6S2
• Molecular Weight: 471.54600
• DSSTox Substance ID: DTXSID60494087
• Wikidata: Q82341200

Synonyms:61830-19-1;DTXSID60494087;3,5-Bis{[(4-methoxyphenyl)methyl]sulfanyl}pyridine-2,6-dicarboxylic acid

Chemical Property of 3,5-Bis{[(4-methoxyphenyl)methyl]sulfanyl}pyridine-2,6-dicarboxylic acid

Chemical Property:

• PSA: 156.55000
• LogP: 5.07980
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 471.08102974
• Heavy Atom Count: 32
• Complexity: 557

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CSC2=CC(=C(N=C2C(=O)O)C(=O)O)SCC3=CC=C(C=C3)OC

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