N,N,N',N'-Tetraethyl-P-(2-Thioxo-1,3-Benzothiazol-3(2H)-Yl)Phosphonic Diamide

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Properties Simple | Detailed

Formula C15H24N3OPS2
IUPAC Name 3-[bis(diethylamino)phosphoryl]-1,3-benzothiazole-2-thione
Molecular Mass 357.474 g·mol−1
Heat of Formation -172.3 ± 16.7 kJ·mol−1
Dipole Moment 7.75 ± 1.08 D
Volume 432.03 Å 3
Surface Area 329.35 Å 2
HOMO Energy -7.69 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 3-bis(diethylamino)phosphoryl-1,3-benzothiazole-2-thione
  • fokaptame
  • phocaptame
  • phosphonic diamide, n,n,n',n'-tetraethyl-p-(2-thioxo-3(2h)-benzothiazolyl)-
CAS Number(s)
  • 67154-33-0
InChIKey ZOFJXFVLYUHSBB-UHFFFAOYSA-N
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