Formula |
C11H15N5O2S |
IUPAC Name |
(6-propylsulfanylpurin-9-ium-9-yl)methyl n-methylcarbamate |
Molecular Mass |
281.334 g·mol−1 |
Heat of Formation |
-111.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.69 ± 1.08 D |
Volume |
323.33 Å 3 |
Surface Area |
308.96 Å 2 |
HOMO Energy |
-8.58 ± 0.55 eV |
LUMO Energy |
-0.98 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (6-propylsulfanylpurin-9-yl)methyl n-methylcarbamate
- n-methylcarbamic acid [6-(propylthio)-9-purinyl]methyl ester
- n-methylcarbamic acid [6-(propylthio)purin-9-yl]methyl ester
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CAS Number(s) |
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InChIKey |
QSDOMOCSKWJNAW-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
S
C
O
N
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