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Screening compounds

Tioxaprofen

Also known as Tioxaprofene, Tioxaprofeno, Tioxaprofenum

CAS 40198-53-6Formula C18H13Cl2NO3SMolar mass 394.28 g/molEC 254-834-7
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Tioxaprofen chemical structure, C18H13Cl2NO3S, CAS 40198-53-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
40198-53-6
Formula
C18H13Cl2NO3S
Molar mass
394.28 g/mol
EC number
254-834-7
HS code
293499
Category
Screening compounds

What is Tioxaprofen?

Plain description, key identifiers and synonyms

Tioxaprofen is a chemical substance with the molecular formula C18H13Cl2NO3S and a molar mass of 394.28 g/mol. Its CAS registry number is 40198-53-6. The IUPAC name is 2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid
CAS number
40198-53-6 CAS number cross-checked
EC number
254-834-7
Molecular formula
C18H13Cl2NO3S
UNII
RA6D4LW87K
InChIKey
WGDADRBTCPGSDG-UHFFFAOYSA-N
InChI
InChI=1S/C18H13Cl2NO3S/c1-10(17(22)23)25-18-21-15(11-2-6-13(19)7-3-11)16(24-18)12-4-8-14(20)9-5-12/h2-10H,1H3,(H,22,23)
SMILES (canonical and isomeric)
CC(C(=O)O)SC1=NC(=C(O1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

Synonyms

  • Tioxaprofene
  • Tioxaprofeno
  • Tioxaprofenum
  • Propanoic acid, 2-((4,5-bis(4-chlorophenyl)-2-oxazolyl)thio)-
  • EMD 26 644
  • 2-(4,5-bis(p-chlorophenyl)oxazolyl-(2)-thio)propionic acid
  • Emd 26644
  • 2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid
  • 2-{[4,5-Bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl}propanoic acid
  • Mercaptooxazolyl carboxylic acid
  • (+/-)-Tioxaprofen
  • Tioxaprofen, (+/-)-
  • 2-((4,5-Bis(p-chlorophenyl)-2-oxazolyl)thio)propionic acid

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
394.28 g/molcalc.
Exact mass
392.9993 Dacalc.
LogP (octanol/water)
5.88calc.
Topological polar surface area
63.33 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
25calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.11calc.
Formal charge
0calc.
Stereocentres
1calc.
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, c1ccc(-c2ncoc2-c2ccccc2)cc1

c1ccc(-c2ncoc2-c2ccccc2)cc1

3 rings, 17 atoms, the 4,5-Diphenyloxazole ring system.

145 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.

Tioxaprofen suppliers

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Tioxaprofen 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 Tioxaprofen 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 Tioxaprofen is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Tioxaprofen?

Tioxaprofen is a chemical substance with the molecular formula C18H13Cl2NO3S and a molar mass of 394.28 g/mol. Its CAS registry number is 40198-53-6. The IUPAC name is 2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid.

What is the CAS number of Tioxaprofen?

The CAS registry number of Tioxaprofen is 40198-53-6.

What is the molecular formula and weight of Tioxaprofen?

The molecular formula of Tioxaprofen is C18H13Cl2NO3S and its molar mass is 394.28 g/mol.

What is Tioxaprofen used for?

Known uses and roles of Tioxaprofen include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Tioxaprofen hazardous?

No GHS hazard classification for Tioxaprofen 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 Tioxaprofen?

Tioxaprofen 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 Tioxaprofen?

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

What is the price of Tioxaprofen?

Suppliers quote Tioxaprofen 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 Tioxaprofen

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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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