Formula |
C19H15FN6O3S2 |
IUPAC Name |
3-[[3-[(6-amino-7h-purin-8-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride |
Molecular Mass |
458.489 g·mol−1 |
Heat of Formation |
-193.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.14 ± 1.08 D |
Volume |
474.54 Å 3 |
Surface Area |
434.92 Å 2 |
HOMO Energy |
-8.91 ± 0.55 eV |
LUMO Energy |
-1.37 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-[[3-[(6-amino-7h-purin-8-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride
- 3-[[3-[[(6-amino-7h-purin-8-yl)thio]methyl]phenyl]carbamoyl]benzenesulfonyl fluoride
- 3-[[[3-[[(6-amino-7h-purin-8-yl)thio]methyl]phenyl]amino]-oxomethyl]benzenesulfonyl fluoride
- 8-(3-(3-fluorosulfonylbenzamido)benzylthio)adenine
- 8-(m-(m-fluorosulfonylbenzamido)benzylthio)adenine
- benzenesulfonyl fluoride, 3-(((3-(((6-amino-1h-purin-8-yl)thio)methyl)phenyl)amino)carbonyl)-
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CAS Number(s) |
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InChIKey |
GFRVAQAQOHIJMD-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
C
F
H
O
N
S
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