Formula |
C13H13N5S |
IUPAC Name |
6-(2-phenylethylsulfanyl)purin-7-ium-2-amine |
Molecular Mass |
271.341 g·mol−1 |
Heat of Formation |
380.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.67 ± 1.08 D |
Volume |
314.07 Å 3 |
Surface Area |
295.32 Å 2 |
HOMO Energy |
-8.60 ± 0.55 eV |
LUMO Energy |
2.16 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1h-purin-2-amine, 6-[(2-phenylethyl)thio]-
- 6-((2-phenylethyl)thio)-9h-purin-2-amine
- 6-(2-phenylethylthio)-7h-purin-2-amine
- [6-(2-phenylethylthio)-7h-purin-2-yl]amine
- au 135
- purine, 2-amino-6-(phenylethylthio)-
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CAS Number(s) |
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InChIKey |
PAAAKNYXXIVNCJ-UHFFFAOYSA-N |
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Links |
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Elements |
H
S
C
N
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