5-Pyrimidinecarboxamide, 4,6-Dihydroxy-2-Mercapto-N-Phenyl-
Properties
Property | Value |
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Formula | C11H9N3O3S |
IUPAC Name | 6-hydroxy-4-oxo-n-phenyl-2-thioxo-1h-pyrimidine-5-carboxamide |
Molecular Mass | 263.272 g·mol−1 |
Heat of Formation | -300.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.41 ± 1.08 D |
Volume | 281.69 Å 3 |
Surface Area | 268.59 Å 2 |
HOMO Energy | -9.16 ± 0.55 eV |
LUMO Energy | -1.54 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | GFYRZTLCYQQVHZ-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 |