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CAS 828-26-2

2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane TCI H1278

2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane TCI H1278

Chemical Identity

CAS No.
828-26-2
PubChem
CID 13233·SID 87561029
Formula
C9H18S3
Molecular weight
222.4 g/mol
Purity
>98.0%(GC)
Reference databases
ChEBI·ChemSpider·ECHA·Wikipedia
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
2,2,4,4,6,6-hexamethyl-1,3,5-trithiane
SMILES
CC1(SC(SC(S1)(C)C)(C)C)C
InChIKey
NBNWHQAWKFYFKI-UHFFFAOYSA-N
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2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane with CAS number 828-26-2 is a six-membered cyclic compound built from three sulfur atoms and three carbon atoms arranged in alternating positions, with each carbon atom carrying two methyl groups. The structure represents the cyclic trimer of thioacetone and serves as an important reference material for researchers studying organosulfur chemistry. In the laboratory, this compound is used as a precursor for generating reactive thiocarbonyl species and as a starting material in the synthesis of sulfur-containing compounds.

The characteristic that makes this material attractive to researchers is the trithiane framework, which remains relatively stable at room temperature yet can be decomposed in a controlled manner to release thiocarbonyl units under specific conditions. The six methyl groups surrounding the ring provide substantial steric shielding, which makes the compound considerably easier to handle than free thiocarbonyl species, which are extremely reactive. The presence of three sulfur atoms also allows the molecule to act as a ligand capable of coordinating with soft metals such as silver, gold, or mercury. Its symmetrical structure produces simple spectra that are easy to verify.

In Indonesian laboratories, this building block is typically used within university research groups and institutional chemistry facilities working on organosulfur synthesis. It supports method development work where a stable, well-defined source of thiocarbonyl units is required, and it functions as a reference compound in analytical and spectroscopic comparison work. Research teams exploring sulfur-containing heterocycles and coordination chemistry with soft metal centers draw on this material as a dependable non-heterocyclic starting point.

  • Thiocarbonyl precursor chemistry — the trithiane ring can be broken down under controlled conditions to release thiocarbonyl units, giving researchers access to reactive intermediates that cannot be stored directly.
  • Organosulfur synthesis — serves as a starting material for building sulfur-containing compounds, providing three sulfur atoms in a defined arrangement within a single, easily weighed solid reagent.
  • Coordination chemistry with soft metals — the three ring sulfur atoms allow the molecule to function as a ligand toward silver, gold, or mercury centers in complexation studies.
  • Spectroscopic reference work — the highly symmetrical structure generates simple, readily interpreted spectra, which makes the compound convenient for instrument verification and comparison against newly synthesized materials.
  • Methodology and mechanism studies — the contrast between ring stability at room temperature and controlled decomposition makes this an instructive substrate for investigating thiocarbonyl reactivity and reaction pathways.

Brand TCI
CAS number 828-26-2
Molecular formula —
Purity —
Category Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes available in standard research-scale packaging; please confirm the specific pack size when ordering
Physical form —
Storage store under the conditions stated on the manufacturer label and accompanying documentation
  • Product code: H1278

Store the container in a cool, dry, and well-ventilated area, away from direct sunlight, heat sources, and ignition sources, following the storage conditions indicated on the manufacturer label. Keep the material in its original tightly closed container, or in a chemically compatible sealed container with a clear label, to limit exposure to air and moisture. As with all organosulfur compounds, handle inside a fume hood to manage odour, and wear appropriate personal protective equipment including safety glasses, gloves, and a laboratory coat. Keep the compound separated from strong oxidizing agents and consult the manufacturer safety data sheet before use and disposal.

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