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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1C(C1(Cl)Cl)SC2=CC=CC=C2 |
|---|---|
| IUPAC Name | (2,2-dichlorocyclopropyl)sulfanylbenzene |
| InChIKey | DIHSMJVOQUSOTO-UHFFFAOYSA-N |
| INCHI | 1S/C9H8Cl2S/c10-9(11)6-8(9)12-7-4-2-1-3-5-7/h1-5,8H,6H2 |
| Isomeric SMILES | C1C(C1(Cl)Cl)SC2=CC=CC=C2 |
| Molecular Weight | 219.12 |
| Reaxy-Rn | 1939447 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1939447&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 Organochlorides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aryl thioether - Thiophenol ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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 |
| Melt Point(°C) | 24 °C |
|---|---|
| Molecular Weight | 219.130 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 217.972 Da |
| Monoisotopic Mass | 217.972 Da |
| Topological Polar Surface Area | 25.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 164.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |