(1R,2S)-1-Isothiocyanato-2-Methyl-Cyclobutane

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Properties Simple | Detailed

Formula C6H9NS
IUPAC Name (1r,2s)-1-isothiocyanato-2-methyl-cyclobutane
Molecular Mass 127.207 g·mol−1
Heat of Formation 128.9 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 167.14 Å 3
Surface Area 168.58 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
InChIKey KEQNPIQLKANFAA-NTSWFWBYSA-N
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Elements H C S N