2-(5,7-Dichloro-2-Oxo-2H-Indol-3-Yl)-N-(4-Methoxyphenyl)Hydrazinecarbothioamide

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Properties Simple | Detailed

Formula C16H14Cl2N4O2S
IUPAC Name 1-[(3,5-dichloro-2-isocyanato-phenyl)methylamino]-3-(4-methoxyphenyl)thiourea
Molecular Mass 397.279 g·mol−1
Heat of Formation 245.0 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 419.75 Å 3
Surface Area 374.44 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -1.85 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(5,7-dichloro-2-keto-indol-3-yl)amino]-3-(4-methoxyphenyl)thiourea
  • 1-[(5,7-dichloro-2-oxo-3-indolyl)amino]-3-(4-methoxyphenyl)thiourea
  • 1-[(5,7-dichloro-2-oxo-indol-3-yl)amino]-3-(4-methoxyphenyl)thiourea
  • 5,7-dichloro-1h-indole-2,3-dione 3-(n-(4-methoxyphenyl)thiosemicarbazone)
CAS Number(s)
  • 79560-74-0
InChIKey HPXWWBMVIMFLLU-UHFFFAOYSA-N
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