5,6-Dihydro-2H-1,4-Thiazine-3-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C5H7NO2S
IUPAC Name 3,6-dihydro-2h-1,4-thiazine-5-carboxylic acid
Molecular Mass 145.180 g·mol−1
Heat of Formation -281.5 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 161.59 Å 3
Surface Area 163.87 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1,4-thiazine-3-carboxylic acid, 5,6-dihydro-
  • 2h-1,4-thiazine-5,6-dihydro-3-carboxylic acid
  • 3,4-dehydro-1,4-thiomorpholine-3-carboxylate
  • 3,4-dehydro-thiomorpholine-3-carboxylate
  • 3,4-dehydrothiomorpholine-3-carboxylate
  • 3,4-dehydrothiomorpholine-3-carboxylic acid
  • aeck
  • aminoethylcysteine-ketimine
  • s-aminoethyl-l-cysteine ketimine
  • thialysine ketimine
CAS Number(s)
  • 68006-11-1
InChIKey HRXJCQXGAHSUJC-UHFFFAOYSA-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