(1Z)-1-(3-Ethyl-5-Methoxy-1,3-Benzothiazol-2(3H)-Ylidene)Acetone

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Properties Simple | Detailed

Formula C13H15NO2S
IUPAC Name (1z)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
Molecular Mass 249.329 g·mol−1
Heat of Formation -201.4 ± 16.7 kJ·mol−1
Dipole Moment 6.36 ± 1.08 D
Volume 296.98 Å 3
Surface Area 271.41 Å 2
HOMO Energy -8.15 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • (1z)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)acetone
  • (1z)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
  • (z)-1-(3-ethyl-5-methoxy-2, 3-dihydrobenzothiazol-2-ylidene) propan-2-one
  • (z)-1-(3-ethyl-5-methoxy-2,3-dihydrobenzothiazol-2-ylidene)propan-2-one
  • 1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)acetone
  • 1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
  • 1-(3-ethyl-5-methoxy-3h-benzothiazol-2-ylidene)-propan-2-one
  • 1-[3-ethyl-5-methoxy-3h-benzothiazol-(2z)-ylidene]-propan-2-one
  • bas 00107536
  • clk inhibitor, tg003
  • k00243
  • tg003
InChIKey BGVLELSCIHASRV-QPEQYQDCSA-N
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