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Heterocyclic building blocks

Thiothixene dimaleate

Also known as N,N-Dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-9H-thioxanthene-2-sulfonamide, dimaleate, Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, maleate (1:2)

CAS 3285-50-5Formula C31H37N3O10S2Molar mass 675.78 g/mol
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Thiothixene dimaleate chemical structure, C31H37N3O10S2, CAS 3285-50-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3285-50-5
Formula
C31H37N3O10S2
Molar mass
675.78 g/mol
HS code
293590
Category
Heterocyclic building blocks

What is Thiothixene dimaleate?

Plain description, key identifiers and synonyms

Thiothixene dimaleate is a chemical substance with the molecular formula C31H37N3O10S2 and a molar mass of 675.78 g/mol. Its CAS registry number is 3285-50-5. The IUPAC name is bis((Z)-but-2-enedioic acid), (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
bis((Z)-but-2-enedioic acid), (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
CAS number
3285-50-5
Molecular formula
C31H37N3O10S2
UNII
B565113IO2
InChIKey
CPQNKJBBFVNYAD-ZCSRIGQMSA-N
InChI
InChI=1S/C23H29N3O2S2.2C4H4O4/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26;2*5-3(6)1-2-4(7)8/h4-5,7-11,17H,6,12-16H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b19-8-;2*2-1-
Canonical SMILES
CN1CCN(CCC=C2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O
Isomeric SMILES
CN1CCN(CC1)CC/C=C/2\C3=C(SC4=CC=CC=C24)C=CC(=C3)S(=O)(=O)N(C)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

Synonyms

  • N,N-Dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-9H-thioxanthene-2-sulfonamide, dimaleate
  • Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, maleate (1:2)

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
675.78 g/molcalc.
Exact mass
675.192 Dacalc.
LogP (octanol/water)
2.89calc.
Topological polar surface area
193.1 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
9calc.
Heavy atoms
46calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
3calc.
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, C(CCN1CCNCC1)=C1c2ccccc2Sc2ccccc21

C(CCN1CCNCC1)=C1c2ccccc2Sc2ccccc21

4 rings, 23 atoms.

67 other chemicals share this scaffold

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.

Thiothixene dimaleate suppliers

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Thiothixene dimaleate 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 Thiothixene dimaleate is traded under.

HS 2935.90Indicative HS code

Sulphonamides, other

World exports in 2024
$5.64B
−11.0% vs 2023, imports $8.56B
2019 to 2024
Top exporters
  1. Ireland43.1%
  2. China12.0%
  3. India * partner reported9.5%
Top importers
  1. United States23.6%
  2. Slovenia19.1%
  3. Spain11.7%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Thiothixene dimaleate, based on the data on this page

What is Thiothixene dimaleate?

Thiothixene dimaleate is a chemical substance with the molecular formula C31H37N3O10S2 and a molar mass of 675.78 g/mol. Its CAS registry number is 3285-50-5. The IUPAC name is bis((Z)-but-2-enedioic acid), (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide.

What is the CAS number of Thiothixene dimaleate?

The CAS registry number of Thiothixene dimaleate is 3285-50-5.

What is the molecular formula and weight of Thiothixene dimaleate?

The molecular formula of Thiothixene dimaleate is C31H37N3O10S2 and its molar mass is 675.78 g/mol.

What is Thiothixene dimaleate used for?

Known uses and roles of Thiothixene dimaleate include building blocks in research and laboratory.

Is Thiothixene dimaleate hazardous?

No GHS hazard classification for Thiothixene dimaleate 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 Thiothixene dimaleate?

Thiothixene dimaleate is usually classified under HS code 293590 (Sulphonamides, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Thiothixene dimaleate?

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

What is the price of Thiothixene dimaleate?

Suppliers quote Thiothixene dimaleate 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 Thiothixene dimaleate

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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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