Diethyl [4-(1,3-Benzothiazol-2-Yl)Benzyl]Phosphonate

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Properties Simple | Detailed

Formula C18H20NO3PS
IUPAC Name 2-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-benzothiazole
Molecular Mass 361.395 g·mol−1
Heat of Formation -536.1 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 424.33 Å 3
Surface Area 355.43 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • (p-(2-benzothiazolyl)benzyl)phosphonic acid diethyl ester
  • a 53986
  • d04260
  • diethyl (p-2-benzothiazolylbenzyl)phosphonate
  • diethyl 4-(benzothiazol-2-yl)benzylphosphonate
  • fosfedil
  • fostedil
  • fostedil (usan)
  • fostedilum [latin]
  • kb-944
  • pdsp1_001081
  • pdsp2_001065
  • phosphonic acid, ((4-(2-benzothiazolyl)phenyl)methyl)-, diethyl ester
  • phosphonic acid, (p-(2-benzothiazolyl)benzyl)-, diethyl ester
CAS Number(s)
  • 75889-62-2
InChIKey FVYRUSCZCWSFLT-UHFFFAOYSA-N
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