1-(1,2-Benzothiazol-3-Yl)-3-Butylurea

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Properties Simple | Detailed

Formula C12H15N3OS
IUPAC Name 1-(1,2-benzothiazol-3-yl)-3-butyl-urea
Molecular Mass 249.332 g·mol−1
Heat of Formation -55.4 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 297.03 Å 3
Surface Area 282.29 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(1,2-benzothiazol-3-yl)-1-butyl-urea
  • 3-(1,2-benzothiazol-3-yl)-1-butylurea
CAS Number(s)
  • 104121-47-3
InChIKey KETPEDRTSXCYFB-UHFFFAOYSA-N
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