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Substance Name: 5-Isothiazolecarboxylic acid, 3-(3-(trifluoromethyl)phenyl)-
RN: 82424-94-0
InChIKey: JBBMPBUPJGSYJG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H6-F3-N-O2-S

Molecular Weight

  • 273.2334
 
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Names and Synonyms

Synonym

  • 3-(3-(Trifluoromethyl)phenyl)-5-isothiazolecarboxylic acid

Systematic Name

  • 5-Isothiazolecarboxylic acid, 3-(3-(trifluoromethyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 82424-94-0

System Generated Number

  • 0082424940

Structure Descriptors

InChI

1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)8-5-9(10(16)17)18-15-8/h1-5H,(H,16,17)

InChIKey

JBBMPBUPJGSYJG-UHFFFAOYSA-N

Smiles

c1cc(cc(c1)C(F)(F)F)c2cc(sn2)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 201mg/kg (201mg/kg)   United States Patent Document. Vol. #4346094,