≥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 | 488194685 |
|---|---|
| Canonical Smiles | CC1=CC=C(C=C1)C2SCCCS2 |
| IUPAC Name | 2-(4-methylphenyl)-1,3-dithiane |
| InChIKey | BPAHUGKAEMGTSH-UHFFFAOYSA-N |
| INCHI | 1S/C11H14S2/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11/h3-6,11H,2,7-8H2,1H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)C2SCCCS2 |
| PubChem CID | 4096585 |
| Molecular Weight | 210.35 |
| Reaxy-Rn | 1368830 |
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 | Benzene and substituted derivatives |
| Subclass | Toluenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Toluenes |
| Alternative Parents | Dithianes Dithioacetals Dialkylthioethers Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Toluene - 1,3-dithiane - Thioacetal - Organoheterocyclic compound - Dialkylthioether - Thioether - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane 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 |
|---|---|---|---|
 E2306940 | Certificate of Analysis | Feb 05, 2026 | P405109 |
| E2306941 | Certificate of Analysis | Feb 05, 2026 | P405109 |
| E2306953 | Certificate of Analysis | Feb 05, 2026 | P405109 |
| E2306966 | Certificate of Analysis | Feb 05, 2026 | P405109 |
| Sensitivity | Air Sensitive |
|---|---|
| Melt Point(°C) | 92 °C |
| Molecular Weight | 210.400 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 210.054 Da |
| Monoisotopic Mass | 210.054 Da |
| Topological Polar Surface Area | 50.600 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 144.000 |
| 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 |
