3-Isothiocyanatopropyl Methyl Sulfoxide

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Properties Simple | Detailed

Formula C5H9NOS2
IUPAC Name 1-isothiocyanato-3-methylsulfanyloxy-propane
Molecular Mass 163.261 g·mol−1
Heat of Formation -19.0 ± 16.7 kJ·mol−1
Dipole Moment 6.45 ± 1.08 D
Volume 189.21 Å 3
Surface Area 188.87 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
InChIKey LELAOEBVZLPXAZ-VIFPVBQESA-N
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