4-Chlorobenzyl Carbamimidothioate

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Properties Simple | Detailed

Formula C8H9ClN2S
IUPAC Name 2-[(4-chlorophenyl)methyl]isothiourea
Molecular Mass 200.688 g·mol−1
Heat of Formation 112.3 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 228.01 Å 3
Surface Area 221.51 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (4-chlorophenyl)methylsulfanylformamidine
  • (4-chlorophenyl)methylsulfanylmethanimidamide
  • 2-(p-chlorobenzyl)-2-thiopseudourea hydrochloride
  • 4-chlorobenzyl imidothiocarbamate
  • [(4-chlorobenzyl)thio]formamidine
  • [(4-chlorophenyl)methylthio]formamidine
  • ag-205/01763008
  • s-(p-chlorobenzyl)-thiuronium chloride
  • s-(p-chlorobenzyl)isothiouronium chloride
InChIKey YOCWIHYZDHPSHD-UHFFFAOYSA-N
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Elements H S N C Cl