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Basic Description
| Synonyms | A835246 | SQXSNYMCORGWCE-UHFFFAOYSA-N | J-501212 | AKOS006344967 | AC-16441 | 1-fluoro-3-(methylsulfanyl)benzene | 3-Fluorophenyl Methyl Sulfide | Benzene, 1-fluoro-3-(methylthio)- | 3-Fluorothioanisole | 1-Fluoro-3-(methylthio)benzene | (3-fluorophenyl)( |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
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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Names and Identifiers
| Pubchem Sid | 488193124 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488193124 |
| IUPAC Name | 1-fluoro-3-methylsulfanylbenzene |
| INCHI | InChI=1S/C7H7FS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3 |
| InChIKey | SQXSNYMCORGWCE-UHFFFAOYSA-N |
| Smiles | CSC1=CC=CC(=C1)F |
| Isomeric SMILES | CSC1=CC=CC(=C1)F |
| Molecular Weight | 142.19 |
| Reaxy-Rn | 2041498 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041498&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 |
|---|---|---|---|
 H2303484 |
Certificate of Analysis | Jul 26, 2023 | F156685 |
| H2303491 |
Certificate of Analysis | Jul 26, 2023 | F156685 |
| H2303490 |
Certificate of Analysis | Jul 26, 2023 | F156685 |
| H2303496 |
Certificate of Analysis | Jul 26, 2023 | F156685 |
| H2303488 |
Certificate of Analysis | Jul 26, 2023 | F156685 |
| H2303492 |
Certificate of Analysis | Jul 26, 2023 | F156685 |
Chemical and Physical Properties
| Refractive Index | 1.56 |
|---|---|
| Flash Point(°C) | 61 °C |
| Boil Point(°C) | 187°C(lit.) |
| Molecular Weight | 142.200 g/mol |
| XLogP3 | 2.200 |
| 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 | 85.000 |
| 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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