Allyl Thiocyanate

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Properties Simple | Detailed

Formula C4H5NS
IUPAC Name allyl thiocyanate
Molecular Mass 99.154 g·mol−1
Heat of Formation 189.1 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 129.23 Å 3
Surface Area 141.96 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • (allylthio)-nitrilo-methane
  • 3-thiocyanatoprop-1-ene
  • allylrhodanid
  • allylthiocyanate
  • thiocyanic acid, 2-propenyl ester
  • thiocyanic acid, allyl ester
CAS Number(s)
  • 764-49-8
InChIKey IFVYHJRLWCUVBB-UHFFFAOYSA-N
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