5-(4-Chlorophenyl)-2,4-Dimethyl-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
Properties
Property | Value |
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Formula | C10H10ClN3S |
IUPAC Name | 5-(4-chlorophenyl)-2,4-dimethyl-1,2,4-triazole-3-thione |
Molecular Mass | 239.724 g·mol−1 |
Heat of Formation | 283.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.32 ± 1.08 D |
Volume | 272.69 Å 3 |
Surface Area | 252.86 Å 2 |
HOMO Energy | -8.21 ± 0.55 eV |
LUMO Energy | -1.03 ± eV |
Point Group Symmetry | Cs |
Synonyms |
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CAS Number(s) |
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InChIKey | BQGRNCIJMQGMBY-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S N C Cl |