3-Methyl-2-Phenyl-1,3,4-Thiadiazol-3-Ium-5-Thiolate
Properties
Property | Value |
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Formula | C9H8N2S2 |
IUPAC Name | 4-methyl-5-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate |
Molecular Mass | 208.303 g·mol−1 |
Heat of Formation | 380.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.29 ± 1.08 D |
Volume | 239.88 Å 3 |
Surface Area | 226.22 Å 2 |
HOMO Energy | -8.05 ± 0.55 eV |
LUMO Energy | -1.72 ± eV |
Point Group Symmetry | Cs |
Synonyms |
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CAS Number(s) |
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InChIKey | KKABNDWCHGAGAZ-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 |