1,1,1-Trifluoro-3-[(4-Sulfanylbutyl)Sulfanyl]Acetone

Molecule SVG Image

Properties Simple | Detailed

Formula C7H11F3OS2
IUPAC Name 1,1,1-trifluoro-3-(4-sulfanylbutylsulfanyl)propan-2-one
Molecular Mass 232.287 g·mol−1
Heat of Formation -830.3 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 255.41 Å 3
Surface Area 249.94 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,1,1-trifluoro-3-((4-mercaptobutyl)thio)-2-propanone
  • 1,1,1-trifluoro-3-(4-mercaptobutylthio)acetone
  • 1,1,1-trifluoro-3-(4-mercaptobutylthio)propan-2-one
  • 2-propanone, 1,1,1-trifluoro-3-((4-mercaptobutyl)thio)-
  • 3-((4'-mercapto)butylthio)-1,1,1-trifluoropropan-2-one
  • mbtfp
CAS Number(s)
  • 99541-29-4
InChIKey CZLDICXWIYJWMC-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O F