3-(2H-Tetrazol-5-Ylmethyl)-5,6,7,8-Tetrahydro[1]Benzothieno[2,3-D]Pyrimidin-4(3H)-One
Properties
Property | Value |
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Formula | C12H12N6OS |
IUPAC Name | 3-(2,3-diaza-1-azonia-4-azanidacyclopenta-2,5-dien-5-ylmethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one |
Molecular Mass | 288.328 g·mol−1 |
Heat of Formation | 287.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.37 ± 1.08 D |
Volume | 312.78 Å 3 |
Surface Area | 281.55 Å 2 |
HOMO Energy | -8.89 ± 0.55 eV |
LUMO Energy | -1.36 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | QSBQXAOOVSQABJ-UHFFFAOYSA-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 |