3-Dimethylaminomethyl-4-(4-methylsulfanyl-phenoxy)-benzenesulfonamide , CAS No.364321-71-1

CAS: 364321-71-1 Cat. No.: D669024 Molecular Weight: 352.5 PubChem CID: 9884876
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Synonyms
Uk-390957 | UNII-W26I0D1D6J | 3-Dimethylaminomethyl-4-(4-methylsulfanyl-phenoxy)-benzenesulfonamide | Uk-390,957 | W26I0D1D6J | 3-[(DIMETHYLAMINO)METHYL]-4-[4-(METHYLSULFANYL)PHENOXY]BENZENE-1-SULFONAMIDE | DTXSID10239425 | BDBM50263966 | 3-[(dimethylamin
Storage
Room temperature
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1mg
D669024-1mg
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5mg
D669024-5mg
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$2,999.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Uk-390957 | UNII-W26I0D1D6J | 3-Dimethylaminomethyl-4-(4-methylsulfanyl-phenoxy)-benzenesulfonamide | Uk-390, 957 | W26I0D1D6J | 3-[(DIMETHYLAMINO)METHYL]-4-[4-(METHYLSULFANYL)PHENOXY]BENZENE-1-SULFONAMIDE | DTXSID10239425 | BDBM50263966 | 3-[(dimethylamin
Storage
Room temperature
Product Properties
ALogP2.4
Names and Identifiers
Canonical SmilesCN(C)CC1=C(C=CC(=C1)S(=O)(=O)N)OC2=CC=C(C=C2)SC
IUPAC Name3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)benzenesulfonamide
InChIKeyVCNSPGHSQPMCFF-UHFFFAOYSA-N
INCHI1S/C16H20N2O3S2/c1-18(2)11-12-10-15(23(17,19)20)8-9-16(12)21-13-4-6-14(22-3)7-5-13/h4-10H,11H2,1-3H3,(H2,17,19,20)
Isomeric SMILES CN(C)CC1=C(C=CC(=C1)S(=O)(=O)N)OC2=CC=C(C=C2)SC
PubChem CID 9884876
Molecular Weight 352.5

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassDiphenylethers
Intermediate Tree Nodes Not available
Direct ParentDiphenylethers
Alternative Parents Diarylethers  Benzenesulfonamides  Benzenesulfonyl compounds  Thiophenol ethers  Benzylamines  Phenol ethers  Phenoxy compounds  Phenylmethylamines  Aralkylamines  Alkylarylthioethers  Organosulfonamides  Aminosulfonyl compounds  Trialkylamines  Sulfenyl compounds  Hydrocarbon derivatives  Organic oxides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Diphenylether - Diaryl ether - Benzenesulfonamide - Benzenesulfonyl group - Thiophenol ether - Phenylmethylamine - Phenol ether - Phenoxy compound - Aryl thioether - Benzylamine - Alkylarylthioether - Aralkylamine - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Tertiary aliphatic amine - Tertiary amine - Sulfenyl compound - Ether - Thioether - Amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
SLC6A4 Tclin Sodium-dependent serotonin transporter (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SLC6A4 Tclin Serotonin transporter (12625 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight352.500 g/mol
XLogP32.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass352.092 Da
Monoisotopic Mass352.092 Da
Topological Polar Surface Area106.000 Ų
Heavy Atom Count23
Formal Charge0
Complexity456.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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