6-Tert-Butyl-3-(Methylsulfanyl)-1,2,4-Triazin-5(4H)-One
Properties
Property | Value |
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Formula | C8H13N3OS |
IUPAC Name | 6-tert-butyl-3-methylsulfanyl-2h-1,2,4-triazin-5-one |
Molecular Mass | 199.273 g·mol−1 |
Heat of Formation | -29.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.49 ± 1.08 D |
Volume | 238.37 Å 3 |
Surface Area | 224.78 Å 2 |
HOMO Energy | -9.35 ± 0.55 eV |
LUMO Energy | 2.10 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | MIWRSUQXSCLDNV-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 |