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.
| ALogP | 2.2 |
|---|
| Pubchem Sid | 504768517 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768517 |
| Canonical Smiles | CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C |
| IUPAC Name | 4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine |
| InChIKey | WJRRGYBTGDJBFX-UHFFFAOYSA-N |
| INCHI | 1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22) |
| Isomeric SMILES | CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C |
| RTECS | UV6261160 |
| Molecular Weight | 371.46 |
| Reaxy-Rn | 14464752 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14464752&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.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonyl compounds |
| Alternative Parents | Aniline and substituted anilines 1,2,5-trisubstituted imidazoles Aminopyrimidines and derivatives N-substituted imidazoles Sulfones Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonyl group - 1,2,5-trisubstituted-imidazole - Trisubstituted imidazole - Aniline or substituted anilines - Aminopyrimidine - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Sulfone - Sulfonyl - Heteroaromatic compound - Secondary amine - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organic oxide - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group. |
| External Descriptors | Not available |
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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 | Sep 08, 2025 | A126894 | |
| Certificate of Analysis | Sep 08, 2025 | A126894 | |
| Certificate of Analysis | Sep 08, 2025 | A126894 | |
| Certificate of Analysis | Sep 08, 2025 | A126894 | |
| Certificate of Analysis | Sep 08, 2025 | A126894 | |
| Certificate of Analysis | Sep 08, 2025 | A126894 |
| Solubility | DMSO 74 mg/mL Water <1 mg/mL Ethanol 74 mg/mL |
|---|---|
| Molecular Weight | 371.500 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 371.142 Da |
| Monoisotopic Mass | 371.142 Da |
| Topological Polar Surface Area | 98.200 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 556.000 |
| 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 →