≥98%(HPLC) 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.
| Canonical Smiles | C1C2CC3CC1CC(C2)(C3)CCN4C(=O)CC(SC4=NC5=CC=C(C=C5)Cl)C(=O)O |
|---|---|
| IUPAC Name | 3-[2-(1-adamantyl)ethyl]-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid |
| InChIKey | HLPZEZRNGAXCJH-UHFFFAOYSA-N |
| INCHI | 1S/C23H27ClN2O3S/c24-17-1-3-18(4-2-17)25-22-26(20(27)10-19(30-22)21(28)29)6-5-23-11-14-7-15(12-23)9-16(8-14)13-23/h1-4,14-16,19H,5-13H2,(H,28,29) |
| Isomeric SMILES | C1C2CC3CC1CC(C2)(C3)CCN4C(=O)CC(SC4=NC5=CC=C(C=C5)Cl)C(=O)O |
| PubChem CID | 4297469 |
| Molecular Weight | 446.99 |
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 | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chlorobenzenes |
| Alternative Parents | Thiazinanes Aryl chlorides Isothioureas Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chlorobenzene - Aryl chloride - Aryl halide - 1,3-thiazinane - Isothiourea - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2522625 | Certificate of Analysis | Dec 08, 2025 | S287370 |
| L2522626 | Certificate of Analysis | Dec 08, 2025 | S287370 |
| L2522627 | Certificate of Analysis | Dec 08, 2025 | S287370 |
| C2408635 | Certificate of Analysis | Jan 22, 2024 | S287370 |
| C2412082 | Certificate of Analysis | Jan 22, 2024 | S287370 |
| C2412590 | Certificate of Analysis | Jan 22, 2024 | S287370 |
| C2412591 | Certificate of Analysis | Jan 22, 2024 | S287370 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 44.7, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 44.7, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 447.000 g/mol |
| XLogP3 | 6.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 446.143 Da |
| Monoisotopic Mass | 446.143 Da |
| Topological Polar Surface Area | 95.300 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 693.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
