(1-{[2-(Diethylamino)Ethyl]Amino}-9-Oxo-9H-Thioxanthen-4-Yl)Methyl Methylcarbamate

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Properties Simple | Detailed

Formula C22H27N3O3S
IUPAC Name [1-[2-(diethylamino)ethylamino]-9-oxo-thioxanthen-4-yl]methyl n-methylcarbamate
Molecular Mass 413.533 g·mol−1
Heat of Formation -364.0 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 492.14 Å 3
Surface Area 435.6 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 9h-thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-((((methylamino)carbonyl)oxy)methyl)-
  • 9h-thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-4-[[[(methylamino)carbonyl]oxy]methyl]-
  • [1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl n-methylcarbamate
  • [1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl n-methylcarbamate
  • hycanthone n-methylcarbamate
  • n-methylcarbamic acid [1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl ester
  • n-methylcarbamic acid [1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl ester
CAS Number(s)
  • 97779-04-9
InChIKey ZNZOVMOZODGFTR-UHFFFAOYSA-N
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