2-(Dimethylamino)Ethyl 1,3,4,5-Tetrahydrothiopyrano(4,3-B)Indole-8-Carboxylate

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Properties Simple | Detailed

Formula C16H20N2O2S
IUPAC Name 2-(dimethylamino)ethyl 3,4-dihydro-1h-thiopyrano[4,3-b]indol-5-ium-4a-ylium-8-carboxylate
Molecular Mass 304.407 g·mol−1
Heat of Formation -208.0 ± 16.7 kJ·mol−1
Dipole Moment 4.89 ± 1.08 D
Volume 361.34 Å 3
Surface Area 332.07 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,4,5-tetrahydrothiopyrano(4,3-b)indole-8-carboxylic acid, 2-(dimethylamino)ethyl ester
  • 1,3,4,5-tetrahydrothiopyrano[4,3-b]indole-8-carboxylic acid 2-dimethylaminoethyl ester
  • cbdive_003274
  • chemdiv3_000133
  • oprea1_217221
  • oprea1_634118
  • tipindole
CAS Number(s)
  • 7489-66-9
InChIKey WNDHLINIYZAWCR-UHFFFAOYSA-N
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