1,1,1-Trifluoro-4-(2-Thienyl)-4-Thioxo-2-Butanone

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Properties Simple | Detailed

Formula C8H5F3OS2
IUPAC Name 1,1,1-trifluoro-4-(2-thienyl)-4-thioxo-butan-2-one
Molecular Mass 238.250 g·mol−1
Heat of Formation -568.8 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 240.51 Å 3
Surface Area 222.41 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -1.94 ± eV
Point Group Symmetry C1
Synonyms
  • 1,1,1-trifluoro-4-(2-thienyl)-4-thioxobutan-2-one
  • 1,1,1-trifluoro-4-sulfanylidene-4-thiophen-2-yl-butan-2-one
  • 1,1,1-trifluoro-4-sulfanylidene-4-thiophen-2-ylbutan-2-one
  • 2-butanone, 1,1,1-trifluoro-4-(2-thienyl)-4-thioxo-
  • thiothenoyltrifluoroacetone
CAS Number(s)
  • 13801-41-7
InChIKey SCSSJQAVQJCRQC-UHFFFAOYSA-N
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