Formula |
C5H4N4O2S |
IUPAC Name |
8-thioxo-7,9-dihydro-3h-purine-2,6-dione |
Molecular Mass |
184.176 g·mol−1 |
Heat of Formation |
-158.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.45 ± 1.08 D |
Volume |
184.48 Å 3 |
Surface Area |
185.13 Å 2 |
HOMO Energy |
-8.66 ± 0.55 eV |
LUMO Energy |
1.76 ± eV |
Point Group Symmetry |
Cs
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Synonyms
|
- 8-thioxo-7,9-dihydro-3h-purine-2,6-dione
- 8-thioxo-7,9-dihydro-3h-purine-2,6-quinone
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CAS Number(s) |
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InChIKey |
KFQXXACDWBTCDT-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
S
C
O
N
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