| SpectraBase Spectrum ID |
KYxl6uoLseO |
| Name |
(RS,SC)-N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[1'-(S-methyl-S-phenylsulfonimidoylmethyl)-3'-methylbutyl]thiourea |
| Appearance |
Beige solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H25F6N3OS2 |
| InChI |
InChI=1S/C22H25F6N3OS2/c1-14(2)9-18(13-29-34(3,32)19-7-5-4-6-8-19)31-20(33)30-17-11-15(21(23,24)25)10-16(12-17)22(26,27)28/h4-8,10-12,14,18H,9,13H2,1-3H3,(H2,30,31,33)/t18-,34+/m0/s1 |
| InChIKey |
WTCAEJLCHYSTHY-USXNREEHSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.8.164 |
| Molecular Weight |
525.572 g/mol |
| Optical Rotation |
[a]D = -75.3 (c = 1.0, CHCl3) |
| SMILES |
N([C@](CN=[S@@](c1ccccc1)(=O)C)(CC(C)C)[H])C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)=S |
| SPLASH |
splash10-052o-0913000000-d4c294c261d60ccf8aa9 |
| Source of Spectrum |
BJO-8-SM7-(RS,SC)-19 |
| Wiley ID |
1864992 |
![(RS,SC)-N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[1'-(S-methyl-S-phenylsulfonimidoylmethyl)-3'-methylbutyl]thiourea](/api/spectrum/KYxl6uoLseO/structure.png?h=300&w=458 "(RS,SC)-N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[1'-(S-methyl-S-phenylsulfonimidoylmethyl)-3'-methylbutyl]thiourea")
