Methyl Thiocyanate

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Properties Simple | Detailed

Formula C2H3NS
IUPAC Name methyl thiocyanate
Molecular Mass 73.117 g·mol−1
Heat of Formation 119.0 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 91.55 Å 3
Surface Area 107.54 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry Cs
Synonyms
  • (methylthio)-nitrilo-methane
  • (methylthio)-nitrilomethane
  • azanylidyne-methylsulfanyl-methane
  • azanylidyne-methylsulfanylmethane
  • methane, thiocyanato-
  • methyl rhodanate
  • methyl sulfocyanate
  • methyl thiocyanide
  • methylrhodanid
  • methylsulfanyl-nitrido-methane
  • thiocyanic acid, methyl ester
  • thiocyanic acid,methyl ester
CAS Number(s)
  • 556-64-9
InChIKey VYHVQEYOFIYNJP-UHFFFAOYSA-N
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