(1R,2S)-2-(5-Thioxo-2,5-Dihydro-1H-1,2,4-Triazol-3-Yl)Cyclohexanecarboxylic Acid
Properties
Property | Value |
---|---|
Formula | C9H13N3O2S |
IUPAC Name | (1r,2s)-2-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid |
Molecular Mass | 227.283 g·mol−1 |
Heat of Formation | -261.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.18 ± 1.08 D |
Volume | 257.29 Å 3 |
Surface Area | 235.65 Å 2 |
HOMO Energy | -8.29 ± 0.55 eV |
LUMO Energy | 2.80 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | DYLXWYPNDHPRPQ-NTSWFWBYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |