| Formula |
C26H27N5OS2 |
| IUPAC Name |
1-benzyl-3-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]-1-[(3-pyrazol-2-ium-1-id-3-ylphenyl)methyl]urea |
| Molecular Mass |
489.655 g·mol−1 |
| Heat of Formation |
285.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
1.48 ± 1.08 D |
| Volume |
592.18 Å 3 |
| Surface Area |
463.06 Å 2 |
| HOMO Energy |
-8.18 ± 0.55 eV |
| LUMO Energy |
2.54 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1-(benzyl)-3-[6-methyl-2,4-bis(methylthio)-3-pyridyl]-1-[3-(2h-pyrazol-3-yl)benzyl]urea
- 3-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]-1-(phenylmethyl)-1-[[3-(2h-pyrazol-3-yl)phenyl]methyl]urea
- 3-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-1-(phenylmethyl)-1-[[3-(2h-pyrazol-3-yl)phenyl]methyl]urea
- 3-[6-methyl-2,4-bis(methylthio)-3-pyridyl]-1-(phenylmethyl)-1-[[3-(2h-pyrazol-3-yl)phenyl]methyl]urea
- fr-186054
|
| InChIKey |
XCMUCRXXBCAKCO-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
S
C
O
N
|
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