≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,Room temperature Ships 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 | 488183190 |
|---|---|
| Canonical Smiles | COC1=CC=C(C=C1)C2SCCCS2 |
| IUPAC Name | 2-(4-methoxyphenyl)-1,3-dithiane |
| InChIKey | INEZXIFHJBJBRB-UHFFFAOYSA-N |
| INCHI | 1S/C11H14OS2/c1-12-10-5-3-9(4-6-10)11-13-7-2-8-14-11/h3-6,11H,2,7-8H2,1H3 |
| Isomeric SMILES | COC1=CC=C(C=C1)C2SCCCS2 |
| RTECS | JO5262000 |
| Molecular Weight | 226.35 |
| Reaxy-Rn | 1243150 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1243150&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 | Benzenoids |
| Class | Phenol ethers |
| Subclass | Anisoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anisoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Dithianes Dithioacetals Dialkylthioethers Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - 1,3-dithiane - Monocyclic benzene moiety - Thioacetal - Organoheterocyclic compound - Dialkylthioether - Thioether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. |
| 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 |
|---|---|---|---|
 G2305358 | Certificate of Analysis | Apr 03, 2026 | M404754 |
| G2305359 | Certificate of Analysis | Apr 03, 2026 | M404754 |
| G2305361 | Certificate of Analysis | Apr 03, 2026 | M404754 |
| G2305362 | Certificate of Analysis | Apr 03, 2026 | M404754 |
| G2305363 | Certificate of Analysis | Apr 03, 2026 | M404754 |
| G2305518 | Certificate of Analysis | Apr 03, 2026 | M404754 |
| Solubility | Soluble in Acetone |
|---|---|
| Sensitivity | Air Sensitive |
| Melt Point(°C) | 117 °C |
| Molecular Weight | 226.400 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 226.049 Da |
| Monoisotopic Mass | 226.049 Da |
| Topological Polar Surface Area | 59.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 161.000 |
| 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 |
