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Cationic surfactants

Thionium

Also known as Thionium (surfactant), Thionium surfactant, 2,2'-Thiobis(N-(2-decyloxy)-2-oxoethyl)-N,N-dimethylethanaminium dichloride

CAS 76597-98-3Formula C32H66Cl2N2O4SMolar mass 645.86 g/mol
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Thionium chemical structure, C32H66Cl2N2O4S, CAS 76597-98-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
76597-98-3
Formula
C32H66Cl2N2O4S
Molar mass
645.86 g/mol
HS code
293090
Category
Cationic surfactants

What is Thionium?

Plain description, key identifiers and synonyms

Thionium is a chemical substance with the molecular formula C32H66Cl2N2O4S and a molar mass of 645.86 g/mol. Its CAS registry number is 76597-98-3. The IUPAC name is (2-decoxy-2-oxoethyl)-[2-[2-[(2-decoxy-2-oxoethyl)-dimethylazaniumyl]ethylsulfanyl]ethyl]-dimethylazanium dichloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2-decoxy-2-oxoethyl)-[2-[2-[(2-decoxy-2-oxoethyl)-dimethylazaniumyl]ethylsulfanyl]ethyl]-dimethylazanium dichloride
CAS number
76597-98-3 CAS number cross-checked
Molecular formula
C32H66Cl2N2O4S
InChIKey
MWDNZMWVENFVHT-UHFFFAOYSA-L
InChI
InChI=1S/C32H66N2O4S.2ClH/c1-7-9-11-13-15-17-19-21-25-37-31(35)29-33(3,4)23-27-39-28-24-34(5,6)30-32(36)38-26-22-20-18-16-14-12-10-8-2;;/h7-30H2,1-6H3;2*1H/q+2;;/p-2
SMILES (canonical and isomeric)
CCCCCCCCCCOC(=O)C[N+](C)(C)CCSCC[N+](C)(C)CC(=O)OCCCCCCCCCC.[Cl-].[Cl-]

Synonyms

  • Thionium (surfactant)
  • Thionium surfactant
  • 2,2'-Thiobis(N-(2-decyloxy)-2-oxoethyl)-N,N-dimethylethanaminium dichloride
  • Dichlorure de bis(N,N-dimethyl-N-carbodecyloxymethyl-N-ethylene-ammonium)-sulfure
  • Ethanaminium, 2,2'-thiobis(N-(2-decyloxy)-2-oxoethyl)-N,N-dimethyl-, dichloride
  • N,N'-[Sulfanediyldi(ethane-2,1-diyl)]bis[2-(decyloxy)-N,N-dimethyl-2-oxoethan-1-aminium] dichloride

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
645.86 g/molcalc.
Exact mass
644.412 Dacalc.
LogP (octanol/water)
1.25calc.
Topological polar surface area
52.6 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
28calc.
Heavy atoms
41calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.94calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
3calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Thionium suppliers

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Thionium 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 Thionium is traded under.

HS 2930.90Indicative HS code

Organo-sulphur compounds, other

World exports in 2024
$5.83B
+0.1% vs 2023, imports $5.93B
2019 to 2024
Top exporters
  1. China40.7%
  2. United States10.9%
  3. Japan9.3%
Top importers
  1. United States13.3%
  2. Brazil12.6%
  3. China6.6%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Thionium, based on the data on this page

What is Thionium?

Thionium is a chemical substance with the molecular formula C32H66Cl2N2O4S and a molar mass of 645.86 g/mol. Its CAS registry number is 76597-98-3. The IUPAC name is (2-decoxy-2-oxoethyl)-[2-[2-[(2-decoxy-2-oxoethyl)-dimethylazaniumyl]ethylsulfanyl]ethyl]-dimethylazanium dichloride.

What is the CAS number of Thionium?

The CAS registry number of Thionium is 76597-98-3.

What is the molecular formula and weight of Thionium?

The molecular formula of Thionium is C32H66Cl2N2O4S and its molar mass is 645.86 g/mol.

What is Thionium used for?

Known uses and roles of Thionium include softeners in textiles and leather and surfactants in home care and cleaning.

Is Thionium hazardous?

No GHS hazard classification for Thionium is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Thionium?

Thionium is usually classified under HS code 293090 (Organo-sulphur compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Thionium?

Post a free request on CompoundList and suppliers of Thionium will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Thionium?

Suppliers quote Thionium 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 Thionium

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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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