Formula |
C5H4N4OS |
IUPAC Name |
6-thioxo-2,3-dihydro-1h-pyrazolo[3,4-d]pyrimidine-3,3a,7,7a-tetraid-4-one |
Molecular Mass |
168.176 g·mol−1 |
Heat of Formation |
211.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.32 ± 1.08 D |
Volume |
173.03 Å 3 |
Surface Area |
175.22 Å 2 |
HOMO Energy |
-8.64 ± 0.55 eV |
LUMO Energy |
-2.22 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- 1,5,6,7-tetrahydro-6-thioxo-4h-pyrazolo(3,4-d)pyrimidin-4-one
- 6-mercapto-1h-pyrazolo[3,4-d]pyrimidin-4-ol
- 6-thioxo-1,2-dihydropyrazolo[4,3-e]pyrimidin-4-one
- t5584046
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CAS Number(s) |
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InChIKey |
SXRSXYWROQWSGJ-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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