2-{[({(2Z)-2-[1-(2-Pyridinyl)Ethylidene]Hydrazino}Carbonothioyl)Amino]Methoxy}Ethyl Acetate

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Properties Simple | Detailed

Formula C13H18N4O3S
IUPAC Name 2-[[[(z)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]methoxy]ethyl acetate
Molecular Mass 310.372 g·mol−1
Heat of Formation -281.2 ± 16.7 kJ·mol−1
Dipole Moment 6.93 ± 1.08 D
Volume 370.48 Å 3
Surface Area 326.94 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(1-pyridin-2-ylethylideneamino)carbamothioylamino]methoxy]ethyl acetate
  • 2-[[(1-pyridin-2-ylethylideneamino)carbamothioylamino]methoxy]ethyl ethanoate
  • 2-[[[1-(2-pyridyl)ethylideneamino]carbamothioylamino]methoxy]ethyl acetate
  • 2-aatsc
  • acetic acid 2-[[[1-(2-pyridyl)ethylideneamino]thiocarbamoylamino]methoxy]ethyl ester
  • acetic acid 2-[[[[(n'z)-n'-[1-(2-pyridyl)ethylidene]hydrazino]-thioxomethyl]amino]methoxy]ethyl ester
  • hydrazinecarbothioamide, n-((2-(acetyloxy)ethoxy)methyl)-2-(1-(2-pyridinyl)ethylidene)-
  • n(4)-(2-acetoxyethoxymethyl)-2-acetylpyridine thiosemicarbazone
CAS Number(s)
  • 107555-22-6
InChIKey ZXIYTRGLUHKCCK-YBEGLDIGSA-N
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