[1,3]Thiazolo[3,2-C][1,2,3]Triazolo[4,5-E]Pyrimidine
Properties
Property | Value |
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Formula | C6H3N5S |
IUPAC Name | 12-thia-3,4,5,7,9-pentazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,10-pentaene |
Molecular Mass | 177.187 g·mol−1 |
Heat of Formation | 617.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 12.62 ± 1.08 D |
Volume | 181.43 Å 3 |
Surface Area | 177.96 Å 2 |
HOMO Energy | -9.64 ± 0.55 eV |
LUMO Energy | -2.43 ± eV |
Point Group Symmetry | Cs |
Synonyms |
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CAS Number(s) |
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InChIKey | AWIXUBDBIYWFQF-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 N |