S-Benzylthio Thioacetate

Molecule SVG Image

Properties Simple | Detailed

Formula C9H10OS2
IUPAC Name s-benzylsulfanyl ethanethioate
Molecular Mass 198.305 g·mol−1
Heat of Formation -88.1 ± 16.7 kJ·mol−1
Dipole Moment 1.42 ± 1.08 D
Volume 234.54 Å 3
Surface Area 226.08 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 1.83 ± eV
Point Group Symmetry C1
Synonyms
  • [(acetyldisulfanyl)methyl]benzene
  • acetyl benzyl disulfide
  • ethane(dithioperoxoic) acid, phenylmethyl ester
  • ethanethioic acid s-(benzylthio) ester
  • ethanethioic acid s-(phenylmethylthio) ester
  • s-(phenylmethylsulfanyl) ethanethioate
CAS Number(s)
  • 5797-02-4
InChIKey MLZUENUQJKVZKC-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O