(2-{[8-(Dimethylamino)Octyl]Sulfanyl}-6-Isopropyl-3-Pyridinyl)(2-Thienyl)Methanone

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Properties Simple | Detailed

Formula C23H34N2OS2
IUPAC Name [2-[8-(dimethylamino)octylsulfanyl]-6-isopropyl-3-pyridyl]-(2-thienyl)methanone
Molecular Mass 418.659 g·mol−1
Heat of Formation -101.1 ± 16.7 kJ·mol−1
Dipole Moment 5.23 ± 1.08 D
Volume 549.85 Å 3
Surface Area 464.28 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(8-dimethylaminooctylthio)-6-isopropyl-3-pyridyl-2-thienyl ketone citrate
  • [2-(8-dimethylaminooctylsulfanyl)-6-isopropyl-3-pyridyl]-(2-thienyl)methanone
  • [2-(8-dimethylaminooctylsulfanyl)-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone
  • [2-(8-dimethylaminooctylsulfanyl)-6-propan-2-ylpyridin-3-yl]-thiophen-2-ylmethanone
  • [2-(8-dimethylaminooctylthio)-6-isopropyl-3-pyridyl]-(2-thienyl)methanone
  • methanone, (2-((8-(dimethylamino)octyl)thio)-6-(1-methylethyl)-3-pyridinyl)-2-thienyl-
  • y 29794
  • y-29794
  • y29794
CAS Number(s)
  • 129184-48-1
InChIKey HAGHKJDWBDSFKC-UHFFFAOYSA-N
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