2-Hydroxy-5-trifluoromethylsulfanyl-benzoic acid

Base Information

• Chemical Name: 2-Hydroxy-5-trifluoromethylsulfanyl-benzoic acid
• CAS No.: 129644-58-2
• Molecular Formula: C8H5F3O3S
• Molecular Weight: 238.19
• DSSTox Substance ID: DTXSID601240952

Synonyms:129644-58-2;2-Hydroxy-5-trifluoromethylsulfanyl-benzoic acid;2-hydroxy-5-(trifluoromethylthio)benzoic acid;2-Hydroxy-5-((trifluoromethyl)thio)benzoic acid;2-Hydroxy-5-[(trifluoromethyl)thio]benzoic acid;SCHEMBL9367905;DTXSID601240952;MFCD07777189;2-Hydroxy-5-((trifluoromethyl)thio)benzoicacid

Chemical Property of 2-Hydroxy-5-trifluoromethylsulfanyl-benzoic acid

Chemical Property:

• PKA: 2.59±0.10(Predicted)
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 237.99114968
• Heavy Atom Count: 15
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

2-Hydroxy-5-((trifluoromethyl)thio)benzoicacid 97% ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1SC(F)(F)F)C(=O)O)O

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