1H-Indene-3-Acetic Acid, 5-Fluoro-2-Methyl-1-(P-(Methylthio)Benzylidene)-

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Properties Simple | Detailed

Formula C20H17FO2S
IUPAC Name 2-[(3e)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylene]inden-1-yl]acetic acid
Molecular Mass 340.411 g·mol−1
Heat of Formation -298.4 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 402.96 Å 3
Surface Area 349.39 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylthio)phenyl)methylene)-
  • 2-[(3e)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylene]inden-1-yl]acetic acid
  • 2-[(3e)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid
  • 2-[(3e)-6-fluoro-2-methyl-3-[4-(methylthio)benzylidene]inden-1-yl]acetic acid
  • 2-[(3e)-6-fluoro-2-methyl-3-[[4-(methylthio)phenyl]methylene]-1-indenyl]acetic acid
  • 2-[6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylene]inden-1-yl]acetic acid
  • 2-[6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid
  • 2-[6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid
  • 2-[6-fluoro-2-methyl-3-[4-(methylthio)benzylidene]inden-1-yl]acetic acid
  • 2-[6-fluoro-2-methyl-3-[[4-(methylthio)phenyl]methylene]-1-indenyl]acetic acid
  • 5-fluoro-2-methyl-1-((4-(methylthio)phenyl)methylene)-1h-indene-3-acetic acid
  • 5-fluoro-2-methyl-1-(p-methylthiobenzylidene)-3-indenyl acetic acid
  • sulindac sulfide
CAS Number(s)
  • 32004-67-4
InChIKey LFWHFZJPXXOYNR-RQZCQDPDSA-N
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