Formula |
C12H12N2O2S |
IUPAC Name |
5-ethyl-6-hydroxy-1-phenyl-2-thioxo-pyrimidin-4-one |
Molecular Mass |
248.301 g·mol−1 |
Heat of Formation |
-164.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.87 ± 1.08 D |
Volume |
284.43 Å 3 |
Surface Area |
257.29 Å 2 |
HOMO Energy |
-8.81 ± 0.55 eV |
LUMO Energy |
2.10 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 5-ethyl-6-hydroxy-1-phenyl-2-sulfanylidene-pyrimidin-4-one
- 5-ethyl-6-hydroxy-1-phenyl-2-sulfanylidenepyrimidin-4-one
- 5-ethyl-6-hydroxy-1-phenyl-2-thioxo-4-pyrimidinone
|
InChIKey |
BUIAADVWUHKTNX-UHFFFAOYSA-N |
QR Code |
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Links |
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|
DOI |
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Downloads |
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|
Elements |
H
S
C
O
N
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