3-[2-(Methylsulfanyl)-1-Quinoliniumyl]-1-Propanesulfonate
Properties
Property | Value |
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Formula | C13H15NO3S2 |
IUPAC Name | 3-(2-methylsulfanylquinolin-1-ium-1-yl)propane-1-sulfonate |
Molecular Mass | 297.393 g·mol−1 |
Heat of Formation | -165.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 21.85 ± 1.08 D |
Volume | 328.58 Å 3 |
Surface Area | 285.03 Å 2 |
HOMO Energy | -8.66 ± 0.55 eV |
LUMO Energy | -2.96 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | WMDSVEWSDJCYTK-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |