(1R,2R)-N-Methyl-2-(3-Pyridinyl)Tetrahydro-2H-Thiopyran-2-Carbothioamide 1-Oxide

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Properties Simple | Detailed

Formula C12H16N2OS2
IUPAC Name (1r,2r)-n-methyl-1-oxo-2-(3-pyridyl)thiane-2-carbothioamide
Molecular Mass 268.398 g·mol−1
Heat of Formation 71.1 ± 16.7 kJ·mol−1
Dipole Moment 7.56 ± 1.08 D
Volume 310.26 Å 3
Surface Area 259.03 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-(1r,2r)-tetrahydro-n-methyl-2-(3-pyridyl)thio-2h-thiopyran-2-carboxamide 1-oxide
  • (1r,2r)-1-keto-n-methyl-2-(3-pyridyl)thiane-2-carbothioamide
  • (1r,2r)-n-methyl-1-oxo-2-(3-pyridyl)-2-thianecarbothioamide
  • (1r,2r)-n-methyl-1-oxo-2-(3-pyridyl)thiane-2-carbothioamide
  • (1r,2r)-n-methyl-1-oxo-2-pyridin-3-yl-thiane-2-carbothioamide
  • (1r,2r)-n-methyl-1-oxo-2-pyridin-3-ylthiane-2-carbothioamide
  • 2h-thiopyran-2-carbothioamide, tetrahydro-n-methyl-2-(3-pyridinyl)-, 1-oxide, (1r,2r)-rel-
  • aprikalim
  • aprikalim (r)
  • aprim
  • rp-52891
CAS Number(s)
  • 92569-65-8
InChIKey GKEMHVLBZNVZOI-SJKOYZFVSA-N
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