S-(2-Aminoethyl) Imidazol-1-Ium-4-Ylium-4-Carbothioate

Molecule SVG Image

Properties Simple | Detailed

Formula C6H9N3OS
IUPAC Name s-(2-aminoethyl) imidazol-1-ium-4-ylium-4-carbothioate
Molecular Mass 171.220 g·mol−1
Heat of Formation 12.4 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 197.08 Å 3
Surface Area 200.18 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
InChIKey DDMHSHFYEMTOPL-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N