6-({3-[Bis(2-Chloroethyl)Amino]Propyl}Amino)-1,2,3,4-Tetrahydro-12H-Benzo[A]Thioxanthen-12-One

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Formula C24H28Cl2N2OS
IUPAC Name 6-[3-[bis(2-chloroethyl)amino]propylamino]-1,2,3,4-tetrahydrobenzo[a]thioxanthen-12-one
Molecular Mass 463.463 g·mol−1
Heat of Formation -170.0 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 536.03 Å 3
Surface Area 391.65 Å 2
HOMO Energy -8.14 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • 12h-benzo(a)thioxanthen-12-one, 6-((3-(bis(2-chloroethyl)amino)propyl)amino)-1,2,3,4-tetrahydro-
  • 4-(bis(2'-chloroethyl)amino)propylamino-1,2-cyclohexenothioxanthone
CAS Number(s)
  • 53926-38-8
InChIKey GPHCFLUGSUETBY-UHFFFAOYSA-N
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