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Heterocyclic building blocks

Hexafluorothioacetone dimer

Also known as 2,2,4,4-tetrakis(trifluoromethyl)-1,3-dithietane, 2,2,4,4-Tetra(trifluoromethyl)-1,3-dithiacyclobutane, tetrakis(trifluoromethyl)-1,3-dithietane

CAS 791-50-4Formula C6F12S2Molar mass 364.18 g/molEC 895-304-0
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Harmful or irritant 2 suppliers listed
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Hexafluorothioacetone dimer chemical structure, C6F12S2, CAS 791-50-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
791-50-4
Formula
C6F12S2
Molar mass
364.18 g/mol
EC number
895-304-0
HS code
293499
Category
Heterocyclic building blocks

What is Hexafluorothioacetone dimer?

Plain description, key identifiers and synonyms

Hexafluorothioacetone dimer is a chemical substance with the molecular formula C6F12S2 and a molar mass of 364.18 g/mol. Its CAS registry number is 791-50-4. The IUPAC name is 2,2,4,4-tetrakis(trifluoromethyl)-1,3-dithietane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,2,4,4-tetrakis(trifluoromethyl)-1,3-dithietane
CAS number
791-50-4 CAS number cross-checked
EC number
895-304-0
Molecular formula
C6F12S2
UNII
QCC36T3ZR9
MDL number
MFCD00061382
InChIKey
QKKBOQYIHOYXKK-UHFFFAOYSA-N
InChI
InChI=1S/C6F12S2/c7-3(8,9)1(4(10,11)12)19-2(20-1,5(13,14)15)6(16,17)18
SMILES (canonical and isomeric)
C1(SC(S1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F

Synonyms

  • 2,2,4,4-tetrakis(trifluoromethyl)-1,3-dithietane
  • 2,2,4,4-Tetra(trifluoromethyl)-1,3-dithiacyclobutane
  • tetrakis(trifluoromethyl)-1,3-dithietane
  • 1,3-Dithietane, 2,2,4,4-tetrakis(trifluoromethyl)-
  • 1,3-Dithiacyclobutane, 2,2,4,4-tetra(trifluoromethyl)-
  • 5-19-01-00089 (Beilstein Handbook Reference)
  • Hexafluorothioacetone Dimer, 1,1,1,3,3,3-Hexafluoro-2-propanethione Dimer,

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
364.18 g/molcalc.
Exact mass
363.925 Dacalc.
LogP (octanol/water)
5.11calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
20calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1SCS1

C1SCS1

1 ring, 4 atoms, the 1,3-Dithietane ring system.

5 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H301Toxic if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H330Fatal if inhaled.
  • H335May cause respiratory irritation.
Precautionary statements (23)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P319Get medical help if you feel unwell.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Hexafluorothioacetone dimer suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 1 country

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Hexafluorothioacetone dimer price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Hexafluorothioacetone dimer is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Hexafluorothioacetone dimer is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Hexafluorothioacetone dimer, based on the data on this page

What is Hexafluorothioacetone dimer?

Hexafluorothioacetone dimer is a chemical substance with the molecular formula C6F12S2 and a molar mass of 364.18 g/mol. Its CAS registry number is 791-50-4. The IUPAC name is 2,2,4,4-tetrakis(trifluoromethyl)-1,3-dithietane.

What is the CAS number of Hexafluorothioacetone dimer?

The CAS registry number of Hexafluorothioacetone dimer is 791-50-4.

What is the molecular formula and weight of Hexafluorothioacetone dimer?

The molecular formula of Hexafluorothioacetone dimer is C6F12S2 and its molar mass is 364.18 g/mol.

What is Hexafluorothioacetone dimer used for?

Known uses and roles of Hexafluorothioacetone dimer include building blocks in research and laboratory.

Is Hexafluorothioacetone dimer hazardous?

Hexafluorothioacetone dimer carries the GHS signal word "Danger". Main hazards: toxic if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Hexafluorothioacetone dimer?

Hexafluorothioacetone dimer is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Hexafluorothioacetone dimer?

CompoundList lists 2 suppliers of Hexafluorothioacetone dimer in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Hexafluorothioacetone dimer?

Suppliers quote Hexafluorothioacetone dimer on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Hexafluorothioacetone dimer

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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