10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
N-linked glycan biosynthesis modulators
| ALogP | 5.567 |
|---|---|
| Contagem HBD | 1 |
| Ligação rotativa | 6 |
| Pubchem Sid | 528768056 |
|---|---|
| Sorrisos canónicos | C1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl |
| IUPAC Name | 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide |
| InChIKey | RKGHJCVNXGKBSF-UHFFFAOYSA-N |
| INCHI | 1S/C22H23ClN4OS/c23-17-13-11-16(12-14-17)21-25-26-22(27(21)19-9-5-2-6-10-19)29-15-20(28)24-18-7-3-1-4-8-18/h2,5-6,9-14,18H,1,3-4,7-8,15H2,(H,24,28) |
| SMILES isoméricas | C1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl |
| PubChem CID | 1514989 |
| Peso molecular | 426.96 |
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 | Organoheterocyclic compounds |
| Classe | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Phenyltriazoles |
| Direct Parent | Phenyl-1,2,4-triazoles |
| Alternative Parents | Chlorobenzenes Alkylarylthioethers Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,2,4-triazole - Aryl thioether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group. |
| External Descriptors | Not available |
| DMSO (mM) Solubilidade máxima | 10 |
|---|---|
| Peso molecular | 427.000 g/mol |
| XLogP3 | 5.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 426.128 Da |
| Monoisotopic Mass | 426.128 Da |
| Topological Polar Surface Area | 85.100 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 519.000 |
| 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 |
