≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Canonical Smiles | CN1C(=C(C(=N1)CSC2=CC=C(C=C2)Cl)C=O)Cl |
|---|---|
| IUPAC Name | 5-chloro-3-[(4-chlorophenyl)sulfanylmethyl]-1-methylpyrazole-4-carbaldehyde |
| InChIKey | ZHDVNQUXXBDRBD-UHFFFAOYSA-N |
| INCHI | 1S/C12H10Cl2N2OS/c1-16-12(14)10(6-17)11(15-16)7-18-9-4-2-8(13)3-5-9/h2-6H,7H2,1H3 |
| Isomeric SMILES | CN1C(=C(C(=N1)CSC2=CC=C(C=C2)Cl)C=O)Cl |
| PubChem CID | 2763781 |
| Molecular Weight | 301.19 |
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 | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Thiophenol ethers Alkylarylthioethers Aryl-aldehydes Chlorobenzenes Aryl chlorides Vinylogous halides Vinylogous amides Pyrazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organochlorides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Thiophenol ether - Aryl thioether - Chlorobenzene - Halobenzene - Aryl-aldehyde - Alkylarylthioether - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Aryl halide - Vinylogous halide - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aldehyde - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 301.200 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 299.989 Da |
| Monoisotopic Mass | 299.989 Da |
| Topological Polar Surface Area | 60.200 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 287.000 |
| 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 |
![5-chloro-3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazole-4-carbaldehyde - ≥97% , CAS No.318234-27-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)