Γ-Isothiocyanopropyl Methyl Sulfone

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Properties Simple | Detailed

Formula C5H9NO2S2
IUPAC Name 1-isothiocyanato-3-methylsulfonyl-propane
Molecular Mass 179.260 g·mol−1
Heat of Formation -238.6 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 204.74 Å 3
Surface Area 205.02 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 1-isothiocyanato-3-(methylsulfonyl)propane
  • 1-isothiocyanato-3-methylsulfonylpropane
  • 3-mesylpropylimino-thioxo-methane
  • cheirolin
  • cheiroline
  • isothiocyanic acid, 3-(methylsulfonyl)propyl ester
  • methylpropylsulfone mustard oil
  • propane, 1-isothiocyanato-3-(methylsulfonyl)- (9ci)
CAS Number(s)
  • 505-34-0
InChIKey ZSJGCHNCYSHQEU-UHFFFAOYSA-N
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