5-{4-[(4-~11~C)Butylsulfanyl]-1,2,5-Thiadiazol-3-Yl}-1-Methyl-1,2,3,6-Tetrahydropyridine
Properties
Property | Value |
---|---|
Formula | C12H19N3S2 |
IUPAC Name | 3-butylsulfanyl-4-[(1r)-1-methyl-3,6-dihydro-2h-pyridin-5-yl]-1,2,5-thiadiazole |
Molecular Mass | 268.430 g·mol−1 |
Heat of Formation | 186.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.10 ± 1.08 D |
Volume | 339.57 Å 3 |
Surface Area | 280.91 Å 2 |
HOMO Energy | -8.59 ± 0.55 eV |
LUMO Energy | 2.15 ± eV |
Point Group Symmetry | C1 |
InChIKey | SFXHHGRYNXLPKT-BJUDXGSMSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C N |