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Heterocyclic building blocks

Tibenelast

Also known as Tibenclast, Tibenelastum, 5,6-diethoxybenzo[b]thiophene-2-carboxylic acid

CAS 97852-72-7Formula C13H14O4SMolar mass 266.32 g/mol
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Tibenelast chemical structure, C13H14O4S, CAS 97852-72-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
97852-72-7
Formula
C13H14O4S
Molar mass
266.32 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Tibenelast?

Plain description, key identifiers and synonyms

Tibenelast is a chemical substance with the molecular formula C13H14O4S and a molar mass of 266.32 g/mol. Its CAS registry number is 97852-72-7. The IUPAC name is 5,6-diethoxy-1-benzothiophene-2-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5,6-diethoxy-1-benzothiophene-2-carboxylic acid
CAS number
97852-72-7 CAS number cross-checked
Molecular formula
C13H14O4S
UNII
H051V8LJ93
InChIKey
PDUXMHXBBXXJFQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H14O4S/c1-3-16-9-5-8-6-12(13(14)15)18-11(8)7-10(9)17-4-2/h5-7H,3-4H2,1-2H3,(H,14,15)
SMILES (canonical and isomeric)
CCOC1=C(C=C2C(=C1)C=C(S2)C(=O)O)OCC

Synonyms

  • Tibenclast
  • Tibenelastum
  • 5,6-diethoxybenzo[b]thiophene-2-carboxylic acid
  • 5,6-Diethoxybenzo(b)thiophene-2-carboxylic acid
  • Benzo(b)thiophene-2-carboxylic acid, 5,6-diethoxy-
  • 5,6-diethoxy-1-benzothiophene-2-carboxylic acid
  • 5,6-diethoxybenzothiophene-2-carboxylic acid
  • Tibenelast (free acid)
  • Benzo[b]thiophene-2-carboxylicacid, 5,6-diethoxy-
  • tibenelast, 5,6-Diethoxybenzo[b]thiophene-2-carboxylic acid, LY-186655

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
266.32 g/molcalc.
Exact mass
266.0613 Dacalc.
LogP (octanol/water)
3.4calc.
Topological polar surface area
55.76 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
18calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.31calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)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, c1ccc2sccc2c1

c1ccc2sccc2c1

2 rings, 9 atoms, the Benzo(B)thiophene ring system.

4,889 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.

Tibenelast suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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Tibenelast price

Indicative price range per kg from live supplier offers

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Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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

Frequently asked questions

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

What is Tibenelast?

Tibenelast is a chemical substance with the molecular formula C13H14O4S and a molar mass of 266.32 g/mol. Its CAS registry number is 97852-72-7. The IUPAC name is 5,6-diethoxy-1-benzothiophene-2-carboxylic acid.

What is the CAS number of Tibenelast?

The CAS registry number of Tibenelast is 97852-72-7.

What is the molecular formula and weight of Tibenelast?

The molecular formula of Tibenelast is C13H14O4S and its molar mass is 266.32 g/mol.

What is Tibenelast used for?

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

Is Tibenelast hazardous?

No GHS hazard classification for Tibenelast 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 Tibenelast?

Tibenelast 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 Tibenelast?

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

What is the price of Tibenelast?

Suppliers quote Tibenelast 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 Tibenelast

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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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