2,4-Dihydro-1H-[1,2,4]Triazolo[3,4-C][1,4]Benzothiazin-1-One
Properties
Property | Value |
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Formula | C9H7N3OS |
IUPAC Name | 2,4-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-one |
Molecular Mass | 205.236 g·mol−1 |
Heat of Formation | 124.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.05 ± 1.08 D |
Volume | 216.1 Å 3 |
Surface Area | 204.27 Å 2 |
HOMO Energy | -8.75 ± 0.55 eV |
LUMO Energy | -0.84 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | DEHMKMLLYRNHIJ-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 |