≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1CN(CCN1CC(=O)NC2=CC=C(C=C2)SCC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4 |
|---|---|
| IUPAC Name | N-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]-2-(4-phenylpiperazin-1-yl)acetamide |
| InChIKey | DTFIIHMVVKUTNL-UHFFFAOYSA-N |
| INCHI | 1S/C25H25Cl2N3OS/c26-20-7-6-19(24(27)16-20)18-32-23-10-8-21(9-11-23)28-25(31)17-29-12-14-30(15-13-29)22-4-2-1-3-5-22/h1-11,16H,12-15,17-18H2,(H,28,31) |
| Molecular Weight | 486.500 |
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 |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | Alpha amino acid amides N-arylpiperazines N-piperazineacetamides Anilides Thiophenol ethers N-arylamides Aniline and substituted anilines Dichlorobenzenes Dialkylarylamines Alkylarylthioethers N-alkylpiperazines Aryl chlorides Trialkylamines Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid amide - N-arylpiperazine - Phenylpiperazine - Alpha-amino acid or derivatives - N-piperazineacetamide - Anilide - 1,3-dichlorobenzene - Thiophenol ether - N-arylamide - Aryl thioether - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Alkylarylthioether - N-alkylpiperazine - Chlorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Thioether - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 486.500 g/mol |
|---|---|
| XLogP3 | 6.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 485.11 Da |
| Monoisotopic Mass | 485.11 Da |
| Topological Polar Surface Area | 60.900 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 576.000 |
| 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 |
