2,2-Dimethyl-2H-1,4-Thiazine-3,6-Dicarboxylic Acid

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Properties Simple | Detailed

Formula C8H9NO4S
IUPAC Name 6,6-dimethyl-1,4-thiazine-2,5-dicarboxylic acid
Molecular Mass 215.226 g·mol−1
Heat of Formation -620.0 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 234.51 Å 3
Surface Area 216.28 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.99 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3-dihydro-2,2-dimethyl-1,4-thiazine-3,6-dicarboxylate
  • dhdm-thiazine
CAS Number(s)
  • 112595-66-1
InChIKey JTNYBEXNIHETSP-UHFFFAOYSA-N
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