Methyl N'-(2,6-Dichlorophenyl)Carbamimidothioate

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Properties Simple | Detailed

Formula C8H8Cl2N2S
IUPAC Name 3-(2,6-dichlorophenyl)-2-methyl-isothiourea
Molecular Mass 235.134 g·mol−1
Heat of Formation 76.3 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 250.03 Å 3
Surface Area 226.11 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • isothiourea, 1-(2,6-dichlorophenyl)-2-methyl-
  • methyl n-(2,6-dichlorophenyl)imidothiocarbamate
  • n'-(2,6-dichlorophenyl)-1-(methylthio)formamidine
  • n'-(2,6-dichlorophenyl)-1-methylsulfanyl-formamidine
  • n'-(2,6-dichlorophenyl)-1-methylsulfanyl-methanimidamide
  • n'-(2,6-dichlorophenyl)-1-methylsulfanylmethanimidamide
InChIKey QXNWSWDAHZQGRO-UHFFFAOYSA-N
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Elements H S N C Cl