(2E)-3-[6-{[(2,6-Dichlorophenyl)Thio]Methyl}-3-(2-Phenylethoxy)Pyridin-2-Yl]Acrylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C23H19Cl2NO3S
IUPAC Name (e)-3-[6-[(2,6-dichlorophenyl)sulfanylmethyl]-3-(2-phenylethoxy)-2-pyridyl]prop-2-enoic acid
Molecular Mass 460.373 g·mol−1
Heat of Formation -305.7 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 505.87 Å 3
Surface Area 364.04 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[6-[(2,6-dichlorophenyl)sulfanylmethyl]-3-(2-phenylethoxy)-2-pyridyl]prop-2-enoic acid
  • (e)-3-[6-[(2,6-dichlorophenyl)sulfanylmethyl]-3-(2-phenylethoxy)pyridin-2-yl]prop-2-enoic acid
  • (e)-3-[6-[[(2,6-dichlorophenyl)thio]methyl]-3-(2-phenylethoxy)-2-pyridyl]acrylic acid
  • (e)-3-[6-[[(2,6-dichlorophenyl)thio]methyl]-3-(2-phenylethoxy)-2-pyridyl]prop-2-enoic acid
  • d06140
  • ticolubant
  • ticolubant (usan)
CAS Number(s)
  • 154413-61-3
InChIKey ZJLFOOWTDISDIO-ZRDIBKRKSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S