Cyclopropyl phenyl sulfide was used as a reagent in the conversion of a ketone into a spirocyclobutanone.
| Pubchem Sid | 504756917 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756917 |
| Canonical Smiles | C1CC1SC2=CC=CC=C2 |
| IUPAC Name | cyclopropylsulfanylbenzene |
| InChIKey | YIBKCPJOFAUAKY-UHFFFAOYSA-N |
| INCHI | 1S/C9H10S/c1-2-4-8(5-3-1)10-9-6-7-9/h1-5,9H,6-7H2 |
| Isomeric SMILES | C1CC1SC2=CC=CC=C2 |
| WGK Germany | 3 |
| UN Number | 2810 |
| Molecular Weight | 150.24 |
| Reaxy-Rn | 2075701 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2075701&ln= |
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 | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Thiophenol ethers Alkylarylthioethers Benzene and substituted derivatives Sulfenyl compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aryl thioether - Thiophenol ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Hydrocarbon derivative - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C1812188 | Certificate of Analysis | Oct 14, 2025 | C101828 |
| D2315214 | Certificate of Analysis | Mar 30, 2023 | C101828 |
| D2315215 | Certificate of Analysis | Mar 30, 2023 | C101828 |
| D2315216 | Certificate of Analysis | Mar 30, 2023 | C101828 |
| D2315224 | Certificate of Analysis | Mar 30, 2023 | C101828 |
| Sensitivity | Air sensitive |
|---|---|
| Refractive Index | 1.581 |
| Flash Point(°F) | 197.6 °F |
| Flash Point(°C) | 92 °C |
| Boil Point(°C) | 62-63°C/1mmHg |
| Molecular Weight | 150.240 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 150.05 Da |
| Monoisotopic Mass | 150.05 Da |
| Topological Polar Surface Area | 25.300 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 101.000 |
| 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 |
