2-{[4-(Trifluoromethyl)pyridin-3-yl]thio}-acetic acid

Base Information

• Chemical Name: 2-{[4-(Trifluoromethyl)pyridin-3-yl]thio}-acetic acid
• CAS No.: 387350-44-9
• Molecular Formula: C8H6 F3 N O2 S
• Molecular Weight: 237.2
• Hs Code.: 2933399090
• European Community (EC) Number: 671-727-4
• DSSTox Substance ID: DTXSID50380647
• Wikidata: Q82171006
• Mol file: 387350-44-9.mol

Synonyms:387350-44-9;2-{[4-(Trifluoromethyl)pyridin-3-yl]thio}-acetic acid;2-[4-(trifluoromethyl)pyridin-3-yl]sulfanylacetic acid;2-[4-(trifluoromethyl)pyridin-3-ylthio]acetic acid;2-((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid;2-{[4-(trifluoromethyl)pyridin-3-yl]sulfanyl}acetic acid;{[4-(Trifluoromethyl)pyridin-3-yl]thio}acetic acid;2-{[4-(Trifluoromethyl)pyridin-3-yl]thio}acetic acid;2-(4-(trifluoromethyl)pyridin-3-ylthio)acetic acid;Peakdale1_000814;SCHEMBL6890801;{[4-(trifluoromethyl)pyridin-3-yl]sulfanyl}acetic acid;HMS520E22;DTXSID50380647;XPBACFWQIBVREX-UHFFFAOYSA-N;MFCD01319255;AKOS015852714;FS-1266;CS-0327484;2-[4-(trifluoromethyl)pyrid-3-ylthio]acetic acid;SR-01000384180;SR-01000384180-1;2-[[4-(trifluoromethyl)pyridin-3-yl]thio]acetic acid, AldrichCPR

Chemical Property of 2-{[4-(Trifluoromethyl)pyridin-3-yl]thio}-acetic acid

Chemical Property:

• Melting Point: 140～143℃
• PSA: 75.49000
• LogP: 2.27710
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 237.00713409
• Heavy Atom Count: 15
• Complexity: 234

Purity/Quality:

98%min ^*data from raw suppliers

2-[4-(Trifluoromethyl)pyridin-3-ylthio]acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC(=C1C(F)(F)F)SCC(=O)O