| SpectraBase Spectrum ID |
DRRgQZA0MRC |
| Name |
(S)-N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[methyl(oxido)phenyl-.lambda.6-sulfanylidene]thiourea |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H12F6N2OS2 |
| InChI |
InChI=1S/C16H12F6N2OS2/c1-27(25,13-5-3-2-4-6-13)24-14(26)23-12-8-10(15(17,18)19)7-11(9-12)16(20,21)22/h2-9H,1H3,(H,23,26)/t27-/m0/s1 |
| InChIKey |
IIBTVKUIEDAING-MHZLTWQESA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.8.164 |
| Molecular Weight |
426.395 g/mol |
| Optical Rotation |
[a]D = -38.0 (c = 1.1, CHCl3) |
| SMILES |
N(C(N=[S@](c1ccccc1)(=O)C)=S)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| SPLASH |
splash10-08i0-1913700000-f1fdcabe792f32f58357 |
| Source of Spectrum |
BJO-8-SM3-S-3 |
| Wiley ID |
1864996 |
![(S)-N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[methyl(oxido)phenyl-.lambda.6-sulfanylidene]thiourea](/api/spectrum/DRRgQZA0MRC/structure.png?h=300&w=458 "(S)-N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[methyl(oxido)phenyl-.lambda.6-sulfanylidene]thiourea")
