5-(4-(Methylthio)phenyl)isoxazole-3-carboxylic acid

Base Information

• Chemical Name: 5-(4-(Methylthio)phenyl)isoxazole-3-carboxylic acid
• CAS No.: 763109-74-6
• Molecular Formula: C11H9NO3S
• Molecular Weight: 235.26
• DSSTox Substance ID: DTXSID201222178
• Mol file: 763109-74-6.mol

Synonyms:5-(4-(METHYLTHIO)PHENYL)ISOXAZOLE-3-CARBOXYLIC ACID;763109-74-6;DTXSID201222178;AKOS022801272;EN300-1842464;5-[4-(Methylthio)phenyl]-3-isoxazolecarboxylic acid;5-[4-(methylsulfanyl)phenyl]-3-isoxazolecarboxylic acid;5-[4-(METHYLSULFANYL)PHENYL]-1,2-OXAZOLE-3-CARBOXYLIC ACID

Chemical Property of 5-(4-(Methylthio)phenyl)isoxazole-3-carboxylic acid

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 235.03031432
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

5-(4-(METHYLTHIO)PHENYL)ISOXAZOLE-3-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CSC1=CC=C(C=C1)C2=CC(=NO2)C(=O)O