2-Mercapto-9H-Purin-6-Ol
Properties
Property | Value |
---|---|
Formula | C5H4N4OS |
IUPAC Name | 2-thioxo-7,8-dihydro-3h-purine-4,5,8,9-tetraid-6-one |
Molecular Mass | 168.176 g·mol−1 |
Heat of Formation | 79.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.52 ± 1.08 D |
Volume | 173.18 Å 3 |
Surface Area | 174.62 Å 2 |
HOMO Energy | -8.96 ± 0.55 eV |
LUMO Energy | 1.83 ± eV |
Point Group Symmetry | Cs |
Synonyms |
|
CAS Number(s) |
|
InChIKey | XNHFAGRBSMMFKL-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 |