1,4-Phenylenedi-2,1-Ethanediyl Dicarbamimidothioate

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Properties Simple | Detailed

Formula C12H18N4S2
IUPAC Name 2-[2-[4-(2-carbamimidoylsulfanylethyl)phenyl]ethyl]isothiourea
Molecular Mass 282.428 g·mol−1
Heat of Formation 191.5 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 347.59 Å 3
Surface Area 326.72 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-(2-carbamimidoylsulfanylethyl)phenyl]ethylsulfanylformamidine
  • 2-[4-(2-carbamimidoylsulfanylethyl)phenyl]ethylsulfanylmethanimidamide
  • 2-{2-[4-(2-carbamimidoylsulfanyl-ethyl)-phenyl]-ethyl}-isothiourea
  • 4bt
  • [2-[4-[2-(amidinothio)ethyl]phenyl]ethylthio]formamidine
  • [2-[4-[2-(carbamimidoylthio)ethyl]phenyl]ethylthio]formamidine
  • s,s'-(1,4-phenylene-bis(1,2-ethanediyl))bis-isothiourea
InChIKey FZWGDUUJDZCYJR-UHFFFAOYSA-N
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Elements H C S N