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Hexafluorothioacetone dimer , CAS No.791-50-4
AVAILABLE TO ORDER
Storage
Room temperature
Shipped In
Normal
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Storage
Room temperature
Shipped In
Normal
Names and Identifiers
| Canonical Smiles | C1(SC(S1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F |
|---|---|
| IUPAC Name | 2,2,4,4-tetrakis(trifluoromethyl)-1,3-dithietane |
| InChIKey | QKKBOQYIHOYXKK-UHFFFAOYSA-N |
| INCHI | 1S/C6F12S2/c7-3(8,9)1(4(10,11)12)19-2(20-1,5(13,14)15)6(16,17)18 |
| Isomeric SMILES | C1(SC(S1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F |
| Alternate CAS | 791-50-4 |
| PubChem CID | 13098 |
| NSC Number | 359467 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Class Dithietanes
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Dithietanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dithietanes |
| Alternative Parents | Dialkylthioethers Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Dithietane - Dialkylthioether - Thioether - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dithietanes. These are compounds comprising a dithietane moiety, which is four-member saturated ring containing two divalent sulfur atoms and two carbon atoms. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 364.200 g/mol |
|---|---|
| XLogP3 | 5.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 0 |
| Exact Mass | 363.925 Da |
| Monoisotopic Mass | 363.925 Da |
| Topological Polar Surface Area | 50.600 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 305.000 |
| 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 |
Solution Calculators
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