S-Isohexyl 4,4-Dimethylpentanethioate

Molecule SVG Image

Properties Simple | Detailed

Formula C13H26OS
IUPAC Name s-isohexyl 4,4-dimethylpentanethioate
Molecular Mass 230.410 g·mol−1
Heat of Formation -422.3 ± 16.7 kJ·mol−1
Dipole Moment 0.84 ± 1.08 D
Volume 330.3 Å 3
Surface Area 307.24 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
InChIKey RDIAVUWNOGELSI-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O