| Formula |
C16H20N2OS2 |
| IUPAC Name |
6-benzyl-5-isopropyl-2-(methylsulfanylmethylsulfanyl)pyrimidin-1-ium-3-id-4-one |
| Molecular Mass |
320.473 g·mol−1 |
| Heat of Formation |
6.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.42 ± 1.08 D |
| Volume |
390.31 Å 3 |
| Surface Area |
343.55 Å 2 |
| HOMO Energy |
-8.72 ± 0.55 eV |
| LUMO Energy |
-0.84 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 5-isopropyl-2-(methylsulfanylmethylsulfanyl)-6-(phenylmethyl)-1h-pyrimidin-4-one
- 5-isopropyl-2-[(methylthio)methylthio]-6-(phenylmethyl)-1h-pyrimidin-4-one
- 5-isopropyl-2-[(methylthiomethyl)thio]-6-(benzyl)-pyrimidin-4-(1h)-one
- 6-(benzyl)-5-isopropyl-2-[(methylthio)methylthio]-1h-pyrimidin-4-one
- mc 1142
|
| InChIKey |
XLGHKMOZFKHHSR-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
O
N
|
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