S-Ethyl Trifluoroethanethioate

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Properties Simple | Detailed

Formula C4H5F3OS
IUPAC Name s-ethyl 2,2,2-trifluoroethanethioate
Molecular Mass 158.142 g·mol−1
Heat of Formation -817.6 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 158.13 Å 3
Surface Area 164.14 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 1.83 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2,2-trifluoroethanethioic acid s-ethyl ester
  • acetic acid, trifluorothio-, s-ethyl ester
  • ethanethioic acid, trifluoro-, s-ethyl ester
  • ethyl trifluorothiolacetate
  • ethylthiol trifluoroacetate
  • s-ethyl 2,2,2-trifluoroethanethioate
  • s-ethyl trifluorothioacetate
  • trifluoroacetonylmercaptoethanol
CAS Number(s)
  • 383-64-2
InChIKey VGGUKFAVHPGNBF-UHFFFAOYSA-N
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