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

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Properties Simple | Detailed

Formula C21H26N2O4S2
IUPAC Name [1-[2-(diethylamino)ethylamino]-9-oxo-thioxanthen-4-yl]methyl methanesulfonate
Molecular Mass 434.572 g·mol−1
Heat of Formation -519.6 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 499.69 Å 3
Surface Area 437.23 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 9h-thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(((methylsulfonyl)oxy)methyl)-
  • [1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl methanesulfonate
  • [1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl methanesulfonate
  • methanesulfonic acid [1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl ester
  • methanesulfonic acid [1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl ester
CAS Number(s)
  • 30922-68-0
InChIKey YYOFXKOUMJOLIW-UHFFFAOYSA-N
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