| SpectraBase Spectrum ID |
7e4vg9R1XX3 |
| Name |
Methanesulfenamide, 1,1,1-trifluoro-N-1H-purin-6-yl- |
| Alternate Name(s) |
6-{[(trifluoromethyl)sulfanyl]amino}-1H-purine
N-(1H-purin-6-yl)-S-(trifluoromethyl)thiohydroxylamine
N6-(trifluoromethylmercapto) adenine
N6-(trifluoromethylthio)adenine |
| CAS Registry Number |
55055-52-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C6H4F3N5S |
| InChI |
InChI=1S/C6H4F3N5S/c7-6(8,9)15-14-5-3-4(11-1-10-3)12-2-13-5/h1-2H,(H2,10,11,12,13,14) |
| InChIKey |
KFJAMZIROKFWNW-UHFFFAOYSA-N |
| Molecular Weight |
235.188 g/mol |
| SMILES |
N1C=NC=2C(=C1NSC(F)(F)F)N=CN2 |
| SPLASH |
splash10-014r-9720000000-37fb2edf82ed9def54ef |
| Source of Spectrum |
K-108-335-11 |
| Wiley ID |
1236807 |
