Ethyl N'-[(E)-1,3-Benzoxazol-2-Ylmethylene]Carbamohydrazonothioate

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Properties Simple | Detailed

Formula C11H12N4OS
IUPAC Name 3-[(e)-1,3-benzoxazol-2-ylmethyleneamino]-2-ethyl-isothiourea
Molecular Mass 248.304 g·mol−1
Heat of Formation 247.4 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 284.42 Å 3
Surface Area 280.49 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry Cs
Synonyms
  • benzoxazolyl-2-formyl-s-ethyl-isothiosemicarbazone
  • hydrazinecarboximidothioic acid, (2-benzoxazolylmethylene)-, ethyl ester
  • n'-(1,3-benzoxazol-2-ylmethyleneamino)-1-(ethylthio)formamidine
  • n'-(1,3-benzoxazol-2-ylmethyleneamino)-1-ethylsulfanyl-formamidine
  • n'-(1,3-benzoxazol-2-ylmethylideneamino)-1-ethylsulfanyl-methanimidamide
  • n'-(1,3-benzoxazol-2-ylmethylideneamino)-1-ethylsulfanylmethanimidamide
  • zimet 111-74
  • zimet 11174
CAS Number(s)
  • 63332-84-3
InChIKey SBLGULUMNVXKIO-NTUHNPAUSA-N
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