3-[(2R)-2-Ethoxypropyl]-2-Thioxo-1,2,3,9-Tetrahydro-6H-Purin-6-One

Molecule SVG Image

Properties Simple | Detailed

Formula C10H14N4O2S
IUPAC Name 3-[(2r)-2-ethoxypropyl]-2-thioxo-9h-purin-7-ium-4-id-6-one
Molecular Mass 254.309 g·mol−1
Heat of Formation 1550.3 ± 16.7 kJ·mol−1
Dipole Moment 6.61 ± 1.08 D
Volume 255.25 Å 3
Surface Area 232.67 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -3.81 ± eV
Point Group Symmetry C1
InChIKey QOTIDWBGIWZLOV-ZCFIWIBFSA-Q
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements S C O N