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Basic Description
| Synonyms | AKOS006222070 | EINECS 206-733-4 | J-515432 | 1-fluoro-4-(methylsulfanyl)benzene | F0566 | p-fluoro(methylthio)benzene | 4-Fluorothioanisole | 1-fluoro-4-methylsulfanylbenzene | 1-fluoro-4-methylsulfanyl-benzene | 1-Fluoro-4-(methylthio)benzene | EN300-33 |
|---|---|
| Specifications & Purity | ≥97% |
| Shipped In | Normal |
| Product Description |
4-Fluorothioanisole is thioanisole derivative. Its conformations about the Csp2-S bond have been investigated by J method. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organosulfur compounds
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Class
Thioethers
- Subclass Aryl thioethers
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Class
Thioethers
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Superclass
Organosulfur compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Thiophenol ethers Fluorobenzenes Alkylarylthioethers Aryl fluorides Sulfenyl compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aryl thioether - Thiophenol ether - Alkylarylthioether - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Sulfenyl compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488194246 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194246 |
| IUPAC Name | 1-fluoro-4-methylsulfanylbenzene |
| INCHI | InChI=1S/C7H7FS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3 |
| InChIKey | XFUMHENRNCUHOH-UHFFFAOYSA-N |
| Smiles | CSC1=CC=C(C=C1)F |
| Isomeric SMILES | CSC1=CC=C(C=C1)F |
| WGK Germany | 3 |
| Molecular Weight | 142.19 |
| Beilstein | 6(4)1567 |
| Reaxy-Rn | 2041508 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041508&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2521434 |
Certificate of Analysis | Jun 24, 2024 | F101837 |
| C2521435 |
Certificate of Analysis | Jun 24, 2024 | F101837 |
| I2409035 |
Certificate of Analysis | Jun 24, 2024 | F101837 |
| I2409038 |
Certificate of Analysis | Jun 24, 2024 | F101837 |
| I2409048 |
Certificate of Analysis | Jun 24, 2024 | F101837 |
| G1922046 |
Certificate of Analysis | May 15, 2023 | F101837 |
| G2313144 |
Certificate of Analysis | Dec 09, 2021 | F101837 |
| G2313150 |
Certificate of Analysis | Dec 09, 2021 | F101837 |
| L2102338 |
Certificate of Analysis | Dec 09, 2021 | F101837 |
Chemical and Physical Properties
| Refractive Index | 1.551 |
|---|---|
| Flash Point(°F) | 165.2 °F |
| Flash Point(°C) | 73°C |
| Boil Point(°C) | 184-185°C |
| Molecular Weight | 142.200 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 142.025 Da |
| Monoisotopic Mass | 142.025 Da |
| Topological Polar Surface Area | 25.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 77.000 |
| 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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