![3-[(4-Methylphenyl)sulfanyl]-1-(2-naphthyl)-1-propanone - ≥90% , CAS No.882748-44-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)
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3-[(4-Methylphenyl)sulfanyl]-1-(2-naphthyl)-1-propanone - ≥90% , CAS No.882748-44-9
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GRADE & PURITY ≥90%
Storage
Room temperature
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Why this grade
≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Specifications & Purity
≥90%
Storage
Room temperature
Purity
≥90%
Names and Identifiers
| Canonical Smiles | CC1=CC=C(C=C1)SCCC(=O)C2=CC3=CC=CC=C3C=C2 |
|---|---|
| IUPAC Name | 3-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylpropan-1-one |
| InChIKey | MLNILSSJKYWFNS-UHFFFAOYSA-N |
| INCHI | 1S/C20H18OS/c1-15-6-10-19(11-7-15)22-13-12-20(21)18-9-8-16-4-2-3-5-17(16)14-18/h2-11,14H,12-13H2,1H3 |
| PubChem CID | 5199571 |
| Molecular Weight | 306.43 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
- Class Naphthalenes
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Naphthalenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthalenes |
| Alternative Parents | Thiophenol ethers Aryl alkyl ketones Toluenes Alkylarylthioethers Sulfenyl compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Naphthalene - Aryl thioether - Thiophenol ether - Aryl ketone - Aryl alkyl ketone - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Ketone - Sulfenyl compound - Thioether - Organic oxide - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 306.400 g/mol |
|---|---|
| XLogP3 | 5.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 306.108 Da |
| Monoisotopic Mass | 306.108 Da |
| Topological Polar Surface Area | 42.400 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 359.000 |
| 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 |
Solution Calculators
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