3-{[4-(Trifluoromethyl)benzoyl]sulfanyl}pyridine-2-carboxylic acid

Base Information

• Chemical Name: 3-{[4-(Trifluoromethyl)benzoyl]sulfanyl}pyridine-2-carboxylic acid
• CAS No.: 62013-60-9
• Molecular Formula: C14H8F3NO3S
• ChEMBL ID: CHEMBL3247166
• DSSTox Substance ID: DTXSID90494176
• Wikidata: Q82341341

Synonyms:62013-60-9;CHEMBL3247166;DTXSID90494176;3-{[4-(Trifluoromethyl)benzoyl]sulfanyl}pyridine-2-carboxylic acid

Chemical Property of 3-{[4-(Trifluoromethyl)benzoyl]sulfanyl}pyridine-2-carboxylic acid

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 327.01769878
• Heavy Atom Count: 22
• Complexity: 422

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(N=C1)C(=O)O)SC(=O)C2=CC=C(C=C2)C(F)(F)F

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