≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light Ships Wet ice 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 | CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC(=CC(=C2)Cl)Cl |
|---|---|
| IUPAC Name | ethyl 4-[(3,5-dichlorophenyl)carbamothioylamino]piperidine-1-carboxylate |
| InChIKey | IBKBNNZZQOIWCI-UHFFFAOYSA-N |
| INCHI | 1S/C15H19Cl2N3O2S/c1-2-22-15(21)20-5-3-12(4-6-20)18-14(23)19-13-8-10(16)7-11(17)9-13/h7-9,12H,2-6H2,1H3,(H2,18,19,23) |
| Isomeric SMILES | CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC(=CC(=C2)Cl)Cl |
| PubChem CID | 3778113 |
| Molecular Weight | 376.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | N-phenylthioureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-phenylthioureas |
| Alternative Parents | Piperidinecarboxylic acids Dichlorobenzenes Aryl chlorides Carbamate esters Thioureas Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-phenylthiourea - Piperidinecarboxylic acid - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Piperidine - Carbamic acid ester - Thiourea - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group. |
| External Descriptors | Not available |
| Molecular Weight | 376.300 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 375.058 Da |
| Monoisotopic Mass | 375.058 Da |
| Topological Polar Surface Area | 85.700 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 410.000 |
| 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 |
![Ethyl 4-[(3,5-dichlorophenyl)carbamothioylamino]piperidine-1-carboxylate - ≥99% CAS No(1022367-69-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/E/1/E1287049.jpg)