4-Methylpentyl Isothiocyanate

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Properties Simple | Detailed

Formula C7H13NS
IUPAC Name 1-isothiocyanato-4-methyl-pentane
Molecular Mass 143.250 g·mol−1
Heat of Formation 12.4 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 195.58 Å 3
Surface Area 194.53 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 1-isothiocyanato-4-methylpentane
InChIKey CZWUENKYXFGDIG-UHFFFAOYSA-N
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Elements H C S N