≥98%(GC) 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 | 504752438 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752438 |
| Canonical Smiles | CC1(SC(SC(S1)(C)C)(C)C)C |
| IUPAC Name | 2,2,4,4,6,6-hexamethyl-1,3,5-trithiane |
| InChIKey | NBNWHQAWKFYFKI-UHFFFAOYSA-N |
| INCHI | 1S/C9H18S3/c1-7(2)10-8(3,4)12-9(5,6)11-7/h1-6H3 |
| Isomeric SMILES | CC1(SC(SC(S1)(C)C)(C)C)C |
| WGK Germany | 2 |
| RTECS | YL8350000 |
| Molecular Weight | 222.43 |
| Beilstein | 19(5)9,119 |
| Reaxy-Rn | 106323 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106323&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 | Organosulfur compounds |
| Class | Thioacetals |
| Subclass | Dithioacetals |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dithioketals |
| Alternative Parents | Trithianes Dialkylthioethers Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Dithioketal - Trithiane - Organoheterocyclic compound - Dialkylthioether - Thioether - Hydrocarbon derivative - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dithioketals. These are compounds containing a dithioketal functional group with the general structure R2C(SR')2 with R, R' = organyl. |
| 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 |
|---|---|---|---|
 K1407094 | Certificate of Analysis | Apr 15, 2026 | H137772 |
| K2507466 | Certificate of Analysis | Sep 05, 2025 | H137772 |
| K2507468 | Certificate of Analysis | Sep 05, 2025 | H137772 |
| K2507489 | Certificate of Analysis | Sep 05, 2025 | H137772 |
| Refractive Index | 1.54(lit.) |
|---|---|
| Flash Point(°C) | 97°C |
| Boil Point(°C) | 107°C/10mmHg |
| Melt Point(°C) | 24°C |
| Molecular Weight | 222.400 g/mol |
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 222.057 Da |
| Monoisotopic Mass | 222.057 Da |
| Topological Polar Surface Area | 75.900 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 131.000 |
| 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 |
