Formula |
C18H22N2OS |
IUPAC Name |
3-[(3-butyl-6-methoxy-2-methyl-4-quinolyl)sulfanyl]propanenitrile |
Molecular Mass |
314.445 g·mol−1 |
Heat of Formation |
15.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.14 ± 1.08 D |
Volume |
398.16 Å 3 |
Surface Area |
350.18 Å 2 |
HOMO Energy |
-8.84 ± 0.55 eV |
LUMO Energy |
1.92 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 3-(3-butyl-6-methoxy-2-methyl-quinolin-4-yl)sulfanylpropanenitrile
- 3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropanenitrile
- 3-[(3-butyl-6-methoxy-2-methyl-4-quinolyl)thio]propanenitrile
- 3-[(3-butyl-6-methoxy-2-methyl-4-quinolyl)thio]propionitrile
|
InChIKey |
UJFIVLIFWNFOIZ-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
S
O
N
|
|
|