Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
GW0742
| Pubchem Sid | 504765114 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504765114 |
| Canonical Smiles | CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC(=C(C=C3)C(F)(F)F)F)C)OCC(=O)O |
| IUPAC Name | 2-[4-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-2-methylphenoxy]acetic acid |
| InChIKey | HWVNEWGKWRGSRK-UHFFFAOYSA-N |
| INCHI | 1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28) |
| Isomeric SMILES | CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC(=C(C=C3)C(F)(F)F)F)C)OCC(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 471.49 |
| Reaxy-Rn | 9445407 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9445407&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jul 15, 2025 | G129770 | |
| Certificate of Analysis | Jul 15, 2025 | G129770 | |
| Certificate of Analysis | Jul 15, 2025 | G129770 | |
| Certificate of Analysis | Jul 15, 2025 | G129770 | |
| Certificate of Analysis | Jul 15, 2025 | G129770 | |
| Certificate of Analysis | Jul 15, 2025 | G129770 |
| Solubility | Solvent:ethanol, Max Conc. mg/mL: 24.23, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 48.5, Max Conc. mM: 100 |
|---|---|
| Melt Point(°C) | 134.5-135.5 °C |
| Molecular Weight | 471.500 g/mol |
| XLogP3 | 6.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 471.059 Da |
| Monoisotopic Mass | 471.059 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 612.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →