Formula |
C11H18N2O2S |
IUPAC Name |
5-ethyl-5-[(1r)-1-methylbutyl]-2-thioxo-hexahydropyrimidine-4,6-dione |
Molecular Mass |
242.338 g·mol−1 |
Heat of Formation |
-426.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.05 ± 1.08 D |
Volume |
296.35 Å 3 |
Surface Area |
263.43 Å 2 |
HOMO Energy |
-9.18 ± 0.55 eV |
LUMO Energy |
-1.36 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- 5-ethyl-5-[(1r)-1-methylbutyl]-2-thioxo-hexahydropyrimidine-4,6-dione
- 5-ethyl-5-[(1r)-1-methylbutyl]-2-thioxo-hexahydropyrimidine-4,6-quinone
- 5-ethyl-5-[(1r)-1-methylbutyl]-2-thioxohexahydropyrimidine-4,6-dione
|
InChIKey |
IUJDSEJGGMCXSG-SSDOTTSWSA-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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