Isothiocyanatoethane

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Properties Simple | Detailed

Formula C3H5NS
IUPAC Name isothiocyanatoethane
Molecular Mass 87.144 g·mol−1
Heat of Formation 98.5 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 110.52 Å 3
Surface Area 127.58 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry Cs
Synonyms
  • ethane, isothiocyanato-
  • ethyl isothiocyanate
  • ethyl mustard oil
  • ethylisothiocyanate
  • isothiocyanic acid, ethyl ester
CAS Number(s)
  • 542-85-8
InChIKey HBNYJWAFDZLWRS-UHFFFAOYSA-N
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Elements H S C N