≥99% 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.
| Pubchem Sid | 488182756 |
|---|---|
| Canonical Smiles | CC1SCCCS1 |
| IUPAC Name | 2-methyl-1,3-dithiane |
| InChIKey | KXROTPXCYDXGSC-UHFFFAOYSA-N |
| INCHI | 1S/C5H10S2/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3 |
| Isomeric SMILES | CC1SCCCS1 |
| WGK Germany | 3 |
| RTECS | JO5263000 |
| Molecular Weight | 134.26 |
| Beilstein | 102766 |
| Reaxy-Rn | 102766 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102766&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 | Organoheterocyclic compounds |
| Class | Dithianes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dithianes |
| Alternative Parents | Dithioacetals Dialkylthioethers Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | 1,3-dithiane - Thioacetal - Dialkylthioether - Thioether - Hydrocarbon derivative - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dithianes. These are compounds containing a dithiane moiety, which is composed of a cyclohexane core structure wherein two methylene units are replaced by sulfur centres. |
| External Descriptors | Not available |
| Solubility | Not miscible or difficult to mix in water. Soluble in alcohol. |
|---|---|
| Flash Point(°F) | 167 °F |
| Flash Point(°C) | 75 °C |
| Boil Point(°C) | 56-59°C/3mmHg |
| Molecular Weight | 134.300 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 134.022 Da |
| Monoisotopic Mass | 134.022 Da |
| Topological Polar Surface Area | 50.600 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 48.000 |
| 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 |
G2228282