4-Thioxo-1,2,4,5-Tetrahydro-6H-Pyrazolo[3,4-D]Pyrimidin-6-One
Properties
Property | Value |
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Formula | C5H4N4OS |
IUPAC Name | 4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-one |
Molecular Mass | 168.176 g·mol−1 |
Heat of Formation | 205.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.51 ± 1.08 D |
Volume | 172.89 Å 3 |
Surface Area | 173.44 Å 2 |
HOMO Energy | -8.97 ± 0.55 eV |
LUMO Energy | -2.29 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | KDAAPQIIYTZQEZ-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 |