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Heterocyclic compounds

Tibenelast sodium

Also known as LY 186655, sodium, 5,6-diethoxy-1-benzothiophene-2-carboxylate, Benzo(b)thiophene-2-carboxylic acid, 5,6-diethoxy-, sodium salt

CAS 105102-18-9Formula C13H13NaO4SMolar mass 288.30 g/mol
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Tibenelast sodium chemical structure, C13H13NaO4S, CAS 105102-18-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
105102-18-9
Formula
C13H13NaO4S
Molar mass
288.30 g/mol
HS code
293499
Category
Heterocyclic compounds

What is Tibenelast sodium?

Plain description, key identifiers and synonyms

Tibenelast sodium is a chemical substance with the molecular formula C13H13NaO4S and a molar mass of 288.30 g/mol. Its CAS registry number is 105102-18-9. The IUPAC name is sodium 5,6-diethoxy-1-benzothiophene-2-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
sodium 5,6-diethoxy-1-benzothiophene-2-carboxylate
CAS number
105102-18-9 CAS number cross-checked
Molecular formula
C13H13NaO4S
UNII
V58CN2SY21
MDL number
MFCD00864802
InChIKey
ILEWAUWOUIHKID-UHFFFAOYSA-M
InChI
InChI=1S/C13H14O4S.Na/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);/q;+1/p-1
SMILES (canonical and isomeric)
CCOC1=C(C=C2C(=C1)C=C(S2)C(=O)[O-])OCC.[Na+]

Synonyms

  • LY 186655
  • sodium, 5,6-diethoxy-1-benzothiophene-2-carboxylate
  • Benzo(b)thiophene-2-carboxylic acid, 5,6-diethoxy-, sodium salt
  • Tibenelast sodium (USAN)
  • C13H13NaO4S
  • sodium 5,6-diethoxybenzo(b)thiophene-2-carboxylate
  • sodium, 5,6-diethoxybenzothiophene-2-carboxylate
  • sodium 5,6-diethoxy-1-benzothiophene-2-carboxylate
  • Benzo(b)thiophene-2-carboxylic acid, 5,6-diethoxy-, sodium salt (1:1)

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
288.30 g/molcalc.
Exact mass
288.0432 Dacalc.
LogP (octanol/water)
-0.93calc.
Topological polar surface area
58.59 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
19calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.31calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
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 sodium suppliers

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Tibenelast sodium 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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

Frequently asked questions

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

What is Tibenelast sodium?

Tibenelast sodium is a chemical substance with the molecular formula C13H13NaO4S and a molar mass of 288.30 g/mol. Its CAS registry number is 105102-18-9. The IUPAC name is sodium 5,6-diethoxy-1-benzothiophene-2-carboxylate.

What is the CAS number of Tibenelast sodium?

The CAS registry number of Tibenelast sodium is 105102-18-9.

What is the molecular formula and weight of Tibenelast sodium?

The molecular formula of Tibenelast sodium is C13H13NaO4S and its molar mass is 288.30 g/mol.

Is Tibenelast sodium hazardous?

No GHS hazard classification for Tibenelast sodium 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 sodium?

Tibenelast sodium 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 sodium?

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

What is the price of Tibenelast sodium?

Suppliers quote Tibenelast sodium 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 sodium

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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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