5-{[(2E,6E)-3,7,11-Trimethyl-2,6,10-Dodecatrien-1-Yl]Sulfanyl}-1H-1,2,4-Triazole
Properties
Property | Value |
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Formula | C17H27N3S |
IUPAC Name | 3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-4-aza-2-azonia-1-azanidacyclopenta-2,4-diene |
Molecular Mass | 305.481 g·mol−1 |
Heat of Formation | 132.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.76 ± 1.08 D |
Volume | 414.82 Å 3 |
Surface Area | 334.75 Å 2 |
HOMO Energy | -8.82 ± 0.55 eV |
LUMO Energy | -0.51 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | QFXNCKFWHATRCH-XGGJEREUSA-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 |