Ethyl N-[4-(Trifluoromethyl)Phenyl]Carbamimidothioate

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Properties Simple | Detailed

Formula C10H11F3N2S
IUPAC Name 2-ethyl-3-[4-(trifluoromethyl)phenyl]isothiourea
Molecular Mass 248.268 g·mol−1
Heat of Formation -548.5 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 274.4 Å 3
Surface Area 243.49 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(ethylthio)-n'-[4-(trifluoromethyl)phenyl]formamidine
  • 1-ethylsulfanyl-n'-[4-(trifluoromethyl)phenyl]formamidine
  • 1-ethylsulfanyl-n'-[4-(trifluoromethyl)phenyl]methanimidamide
  • carbamimidothioic acid, (4-(trifluoromethyl)phenyl)-, ethyl ester
  • ethyl (4-(trifluoromethyl)phenyl)carbamimidothioate
  • s-ethyl n-(4-(trifluoromethyl)phenyl)isothiourea
  • s-ethyl tfmp-isothiourea
  • s-ethyl-n-[4-(trifluoromethyl)phenyl]isothiourea
CAS Number(s)
  • 163490-78-6
  • 163490-40-2
InChIKey LCMOXIFARISMOH-UHFFFAOYSA-N
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Elements H S N C F