2-Sulfanyl-5-[4-(Trifluoromethyl)Benzyl]-1,3-Thiazol-4(5H)-One

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Properties Simple | Detailed

Formula C11H8F3NOS2
IUPAC Name (5r)-2-sulfanyl-5-[[4-(trifluoromethyl)phenyl]methyl]thiazol-4-one
Molecular Mass 291.312 g·mol−1
Heat of Formation -627.6 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 300.41 Å 3
Surface Area 273.92 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
Synonyms
  • (5r)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
  • (5r)-2-thioxo-5-[4-(trifluoromethyl)benzyl]thiazolidin-4-one
  • (5r)-2-thioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-4-thiazolidinone
  • (5r)-2-thioxo-5-[[4-(trifluoromethyl)phenyl]methyl]thiazolidin-4-one
InChIKey HBYVUUWMCCSRBI-MRVPVSSYSA-N
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