8-((2,4-Dimethylphenyl)Thio)-3-(Pent-4-Yn-1-Yl)-3H-Purin-6-Amine

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Properties Simple | Detailed

Formula C18H20N5S+
IUPAC Name 8-(2,4-dimethylphenyl)sulfanyl-3-pent-4-ynyl-purin-3-ium-4-ylium-6-amine
Molecular Mass 338.450 g·mol−1
Heat of Formation 549.9 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 364.54 Å 3
Surface Area 333.54 Å 2
HOMO Energy -7.80 ± 0.55 eV
LUMO Energy 1.07 ± eV
Point Group Symmetry C1
InChIKey IIQUFGUOGYICIJ-UHFFFAOYSA-N
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Elements H C S N