≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged,Desiccated Ships Wet ice 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.
2-(Methylthio)cyclohexanone is a 2-substituted cyclohexanone. The proportion of axial and equatorial conformation has been measured in chloroform by the Eliel method. It suggests that the in chloroform steric effect dominates over polar effect in contributing to the conformational preference. The stereoselectivity of the reduction of 2-(methylthio)cyclohexanone using different hydrides has been studied
| 정식 스마일 | CSC1CCCCC1=O |
|---|---|
| IUPAC Name | 2-methylsulfanylcyclohexan-1-one |
| InChIKey | QFABNUVNDKOIEH-UHFFFAOYSA-N |
| INCHI | 1S/C7H12OS/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3 |
| 이성체 SMILES | CSC1CCCCC1=O |
| WGK 독일 | 3 |
| 분자량 | 144.23 |
| Reaxy-Rn | 1857819 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1857819&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 | Organic oxygen compounds |
| 분류 | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones |
| Direct Parent | Cyclic ketones |
| Alternative Parents | Sulfenyl compounds Dialkylthioethers Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Cyclic ketone - Dialkylthioether - Sulfenyl compound - Thioether - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety. |
| External Descriptors | Not available |
| 발화점(°F) | 192.2 °F |
|---|---|
| 발화점(°C) | 89 °C |
| 끓는점(°C) | 45°C/10.1mmHg |
| 분자량 | 144.240 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 144.061 Da |
| Monoisotopic Mass | 144.061 Da |
| Topological Polar Surface Area | 42.400 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 111.000 |
| 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 |
