Methyl Carbamimidothioate

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Properties Simple | Detailed

Formula C2H6N2S
IUPAC Name 2-methylisothiourea
Molecular Mass 90.147 g·mol−1
Heat of Formation 60.1 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 112.13 Å 3
Surface Area 123.98 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • (methylthio)formamidine
  • carbamimidothioic acid, methyl ester
  • hsci1_000214
  • methyl imidothiocarbamate
  • methylsulfanylformamidine
  • s-methyl isothiourea
  • s-methyl-isothiourea
  • s-methylisothiopseudouronium
  • s-methylisothiouronium
  • s-methylthiopseudouronium iodide
  • stk301762
CAS Number(s)
  • 72046-62-9
  • 53114-57-1
  • 53212-69-4
InChIKey SDDKIZNHOCEXTF-UHFFFAOYSA-N
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