| SpectraBase Spectrum ID |
2DewjgY0R6 |
| Name |
(SS,SC)-N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[1'-(S-methyl-S-phenylsulfonimidoylmethyl)-2'-methylpropyl]thiourea |
| Appearance |
Beige solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H23F6N3OS2 |
| InChI |
InChI=1S/C21H23F6N3OS2/c1-13(2)18(12-28-33(3,31)17-7-5-4-6-8-17)30-19(32)29-16-10-14(20(22,23)24)9-15(11-16)21(25,26)27/h4-11,13,18H,12H2,1-3H3,(H2,29,30,32)/t18-,33+/m1/s1 |
| InChIKey |
RWAIIQZEYVMUFT-GDTDKIKOSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.8.164 |
| Molecular Weight |
511.545 g/mol |
| Optical Rotation |
[a]D = 6.1 (c = 0.5, CHCl3) |
| SMILES |
N([C@](CN=[S@](c1ccccc1)(=O)C)(C(C)C)[H])C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)=S |
| SPLASH |
splash10-0avu-0937000000-21a033c23993ec086906 |
| Source of Spectrum |
BJO-8-SM6-(SS,SC)-18 |
| Wiley ID |
1864993 |
![(SS,SC)-N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[1'-(S-methyl-S-phenylsulfonimidoylmethyl)-2'-methylpropyl]thiourea](/api/spectrum/2DewjgY0R6/structure.png?h=300&w=458 "(SS,SC)-N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[1'-(S-methyl-S-phenylsulfonimidoylmethyl)-2'-methylpropyl]thiourea")
