4-(Sec-Butylsulfanyl)-1-Methyl-3-Phenyl-1H-Pyrazol-5-Amine
Properties
Property | Value |
---|---|
Formula | C14H19N3S |
IUPAC Name | 2-methyl-4-[(1r)-1-methylpropyl]sulfanyl-5-phenyl-pyrazol-2-ium-1-id-3-amine |
Molecular Mass | 261.386 g·mol−1 |
Heat of Formation | 201.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.31 ± 1.08 D |
Volume | 334.1 Å 3 |
Surface Area | 284.8 Å 2 |
HOMO Energy | -8.19 ± 0.55 eV |
LUMO Energy | 0.11 ± eV |
Point Group Symmetry | C1 |
InChIKey | WQECKYWGHPFPAU-SNVBAGLBSA-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 |