S-[(1S)-2,2-Dimethylcyclobutyl] Cyclohexanecarbothioate

Molecule SVG Image

Properties Simple | Detailed

Formula C13H22OS
IUPAC Name s-[(1s)-2,2-dimethylcyclobutyl] cyclohexanecarbothioate
Molecular Mass 226.378 g·mol−1
Heat of Formation -286.4 ± 16.7 kJ·mol−1
Dipole Moment 0.88 ± 1.08 D
Volume 301.66 Å 3
Surface Area 268.22 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry C1
InChIKey NXLJPZSNUFOPIV-NSHDSACASA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O