Formula |
C8H10N4O2S |
IUPAC Name |
1,3-dimethyl-8-methylsulfanyl-7h-purine-4,5,8,9-tetraide-2,6-dione |
Molecular Mass |
226.256 g·mol−1 |
Heat of Formation |
-190.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.66 ± 1.08 D |
Volume |
247.35 Å 3 |
Surface Area |
236.83 Å 2 |
HOMO Energy |
-8.75 ± 0.55 eV |
LUMO Energy |
2.19 ± eV |
Point Group Symmetry |
Cs
|
Synonyms
|
- 1,3-dimethyl-8-(methylthio)-7h-purine-2,6-dione
- 1,3-dimethyl-8-(methylthio)-7h-purine-2,6-quinone
- 1,3-dimethyl-8-methylsulfanyl-7h-purine-2,6-dione
|
CAS Number(s) |
|
InChIKey |
RLOPOZUJNIRHCF-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
S
C
O
N
|
|
|