Determine the necessary mass, volume, or concentration for preparing a solution.
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≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated 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.
Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.
| Pubchem Sid | 504764369 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504764369 |
| Canonical Smiles | CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC(=C(C=C3)OC)N4CCNCC4.Cl |
| IUPAC Name | 5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride |
| InChIKey | RMXZRJYGJMSDQK-UHFFFAOYSA-N |
| INCHI | 1S/C20H22ClN3O3S2.ClH/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24;/h3-6,11-12,22-23H,7-10H2,1-2H3;1H |
| Isomeric SMILES | CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC(=C(C=C3)OC)N4CCNCC4.Cl |
| Alternate CAS | 209481-20-9 |
| Molecular Weight | 488.45 |
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 | N-arylpiperazines Sulfanilides Aminophenyl ethers Methoxyanilines 1-benzothiophenes Methoxybenzenes Anisoles Dialkylarylamines Phenoxy compounds Alkyl aryl ethers Aryl chlorides Organosulfonamides Thiophenes Aminosulfonyl compounds Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Sulfanilide - Aminophenyl ether - Benzothiophene - 1-benzothiophene - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Thiophene - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Ether - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Amine - Hydrochloride - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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 |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jan 05, 2026 | S274991 | |
| Certificate of Analysis | Jan 05, 2026 | S274991 | |
| Certificate of Analysis | Jan 05, 2026 | S274991 | |
| Certificate of Analysis | Dec 12, 2025 | S274991 | |
| Certificate of Analysis | Dec 12, 2025 | S274991 | |
| Certificate of Analysis | Dec 12, 2025 | S274991 | |
| Certificate of Analysis | Oct 11, 2025 | S274991 |
| Solubility | Soluble in DMSO to 100 mM and in ethanol to 5 mM (with heating) |
|---|---|
| Sensitivity | Moisture sensitive |
| Molecular Weight | 488.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 487.056 Da |
| Monoisotopic Mass | 487.056 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 656.000 |
| 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 | 2 |