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Heterocyclic building blocks

Ro 22-0654

Also known as Ro-22-0654, 3-Thiophenecarboxylic acid, 4-amino-5-ethyl-, methyl ester, methyl 4-amino-5-ethylthiophene-3-carboxylate

CAS 81741-99-3Formula C8H11NO2SMolar mass 185.25 g/mol
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Ro 22-0654 chemical structure, C8H11NO2S, CAS 81741-99-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
81741-99-3
Formula
C8H11NO2S
Molar mass
185.25 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Ro 22-0654?

Plain description, key identifiers and synonyms

Ro 22-0654 is a chemical substance with the molecular formula C8H11NO2S and a molar mass of 185.25 g/mol. Its CAS registry number is 81741-99-3. The IUPAC name is methyl 4-amino-5-ethylthiophene-3-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 4-amino-5-ethylthiophene-3-carboxylate
CAS number
81741-99-3 CAS number cross-checked
Molecular formula
C8H11NO2S
UNII
2MM80KQN4J
InChIKey
DFTUDTYQWOYUKT-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO2S/c1-3-6-7(9)5(4-12-6)8(10)11-2/h4H,3,9H2,1-2H3
SMILES (canonical and isomeric)
CCC1=C(C(=CS1)C(=O)OC)N

Synonyms

  • Ro-22-0654
  • 3-Thiophenecarboxylic acid, 4-amino-5-ethyl-, methyl ester
  • methyl 4-amino-5-ethylthiophene-3-carboxylate
  • Methyl 4-amino-5-ethyl-3-thiophenecarboxylate
  • 4-Amino-5-ethyl-3-thiophenecarboxylic acid methyl ester
  • Amino-5-ethyl-3-thiophene-carboxylic acid methyl ester, 4-

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
185.25 g/molcalc.
Exact mass
185.0511 Dacalc.
LogP (octanol/water)
1.68calc.
Topological polar surface area
52.32 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.38calc.
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, c1ccsc1

c1ccsc1

1 ring, 5 atoms, the Thiophene ring system.

22,643 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.

Ro 22-0654 suppliers

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

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Ro 22-0654 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 Ro 22-0654 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 Ro 22-0654 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ro 22-0654, based on the data on this page

What is Ro 22-0654?

Ro 22-0654 is a chemical substance with the molecular formula C8H11NO2S and a molar mass of 185.25 g/mol. Its CAS registry number is 81741-99-3. The IUPAC name is methyl 4-amino-5-ethylthiophene-3-carboxylate.

What is the CAS number of Ro 22-0654?

The CAS registry number of Ro 22-0654 is 81741-99-3.

What is the molecular formula and weight of Ro 22-0654?

The molecular formula of Ro 22-0654 is C8H11NO2S and its molar mass is 185.25 g/mol.

What is Ro 22-0654 used for?

Known uses and roles of Ro 22-0654 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Ro 22-0654 hazardous?

No GHS hazard classification for Ro 22-0654 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 Ro 22-0654?

Ro 22-0654 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 Ro 22-0654?

Post a free request on CompoundList and suppliers of Ro 22-0654 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Ro 22-0654?

Suppliers quote Ro 22-0654 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 Ro 22-0654

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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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