4-Phenylsulfanyl-Butyric Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C10H12O2S
IUPAC Name 4-phenylsulfanylbutanoic acid
Molecular Mass 196.266 g·mol−1
Heat of Formation -328.2 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 240.85 Å 3
Surface Area 230.44 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • 12p-609
  • 4-(phenylsulfanyl)butanoic acid
  • 4-(phenylthio)butanoic acid
  • 4-(phenylthio)butyric acid
  • bionet2_000643
  • butanoic acid, 4-(phenylthio)-
CAS Number(s)
  • 17742-51-7
InChIKey HHZVQLOVHIDMBD-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O