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

Molecule SVG Image

Properties Simple | Detailed

Formula C12H16N2OS2
IUPAC Name (1s,2s)-n-methyl-1-oxo-2-(3-pyridyl)thiane-2-carbothioamide
Molecular Mass 268.398 g·mol−1
Heat of Formation 43.6 ± 16.7 kJ·mol−1
Dipole Moment 6.53 ± 1.08 D
Volume 308.29 Å 3
Surface Area 259.9 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s)-1-keto-n-methyl-2-(3-pyridyl)thiane-2-carbothioamide
  • (1s,2s)-n-methyl-1-oxo-2-(3-pyridyl)-2-thianecarbothioamide
  • (1s,2s)-n-methyl-1-oxo-2-(3-pyridyl)thiane-2-carbothioamide
  • (1s,2s)-n-methyl-1-oxo-2-pyridin-3-yl-thiane-2-carbothioamide
  • (1s,2s)-n-methyl-1-oxo-2-pyridin-3-ylthiane-2-carbothioamide
InChIKey GKEMHVLBZNVZOI-SJCJKPOMSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N