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

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Properties Simple | Detailed

Formula C12H16N2OS2
IUPAC Name (1s,2r)-n-methyl-1-oxo-2-(3-pyridyl)thiane-2-carbothioamide
Molecular Mass 268.398 g·mol−1
Heat of Formation 61.5 ± 16.7 kJ·mol−1
Dipole Moment 5.73 ± 1.08 D
Volume 308.81 Å 3
Surface Area 260.32 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r)-1-keto-n-methyl-2-(3-pyridyl)thiane-2-carbothioamide
  • (1s,2r)-n-methyl-1-oxo-2-(3-pyridyl)-2-thianecarbothioamide
  • (1s,2r)-n-methyl-1-oxo-2-(3-pyridyl)thiane-2-carbothioamide
  • (1s,2r)-n-methyl-1-oxo-2-pyridin-3-yl-thiane-2-carbothioamide
  • (1s,2r)-n-methyl-1-oxo-2-pyridin-3-ylthiane-2-carbothioamide
  • 49356rp
  • rp-49356
InChIKey GKEMHVLBZNVZOI-PXAZEXFGSA-N
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