10-{2-[(2R)-1-Methyl-2-Piperidinyl]Ethyl}-2-(Methylsulfanyl)-10H-Phenothiazine

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Properties Simple | Detailed

Formula C21H26N2S2
IUPAC Name 10-[2-[(1s,2r)-1-methyl-2-piperidyl]ethyl]-2-methylsulfanyl-phenothiazine
Molecular Mass 370.575 g·mol−1
Heat of Formation 180.9 ± 16.7 kJ·mol−1
Dipole Moment 2.13 ± 1.08 D
Volume 452.05 Å 3
Surface Area 379.09 Å 2
HOMO Energy -7.56 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
Synonyms
  • 10-[2-[(2r)-1-methyl-2-piperidinyl]ethyl]-2-(methylthio)phenothiazine
  • 10-[2-[(2r)-1-methyl-2-piperidyl]ethyl]-2-(methylthio)phenothiazine
  • 10-[2-[(2r)-1-methyl-2-piperidyl]ethyl]-2-methylsulfanyl-phenothiazine
  • 10-[2-[(2r)-1-methylpiperidin-2-yl]ethyl]-2-methylsulfanyl-phenothiazine
  • 10-[2-[(2r)-1-methylpiperidin-2-yl]ethyl]-2-methylsulfanylphenothiazine
InChIKey KLBQZWRITKRQQV-MRXNPFEDSA-N
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