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Screening compounds

Thiofentanil

Also known as Methyl 4-(N-(1-oxopropyl)-N-phenylamino)-1-(2-(2-thienyl)ethyl)-4-piperidinecarboxylate, 4-Piperidinecarboxylic acid, 4-((1-oxopropyl)phenylamino)-1-(2-(2-thienyl)ethyl)-, methyl ester, Thiofentanil-d3

CAS 60771-38-2Formula C22H28N2O3SMolar mass 400.54 g/mol
Prohibited, not for trade
Why it is not for trade
Thiofentanil chemical structure, C22H28N2O3S, CAS 60771-38-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
60771-38-2
Formula
C22H28N2O3S
Molar mass
400.54 g/mol
HS code
293499
Category
Screening compounds

What is Thiofentanil?

Plain description, key identifiers and synonyms

Thiofentanil is a chemical substance with the molecular formula C22H28N2O3S and a molar mass of 400.54 g/mol. Its CAS registry number is 60771-38-2. The IUPAC name is methyl 4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidine-4-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidine-4-carboxylate
CAS number
60771-38-2 CAS number cross-checkedOther or deprecated CAS: 1185004-68-5
Molecular formula
C22H28N2O3S
InChIKey
JBZRLYJWUZOCQL-UHFFFAOYSA-N
InChI
InChI=1S/C22H28N2O3S/c1-3-20(25)24(18-8-5-4-6-9-18)22(21(26)27-2)12-15-23(16-13-22)14-11-19-10-7-17-28-19/h4-10,17H,3,11-16H2,1-2H3
SMILES (canonical and isomeric)
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)C(=O)OC

Synonyms

  • Methyl 4-(N-(1-oxopropyl)-N-phenylamino)-1-(2-(2-thienyl)ethyl)-4-piperidinecarboxylate
  • 4-Piperidinecarboxylic acid, 4-((1-oxopropyl)phenylamino)-1-(2-(2-thienyl)ethyl)-, methyl ester
  • Thiofentanil-d3
  • methyl 4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidine-4-carboxylate
  • Methyl 4-(N-phenylpropanamido)-1-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxylate
  • methyl 4-(N-phenylpropionamido)-1-(2-(thiophen-2-yl)ethyl)piperidine-4-carboxylate

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
400.54 g/molcalc.
Exact mass
400.1821 Dacalc.
LogP (octanol/water)
3.74calc.
Topological polar surface area
49.85 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
7calc.
Heavy atoms
28calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.46calc.
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, c1ccc(NC2CCN(CCc3cccs3)CC2)cc1

c1ccc(NC2CCN(CCc3cccs3)CC2)cc1

3 rings, 20 atoms.

35 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.

Thiofentanil suppliers

Trading restrictions apply to this substance

Controlled or monitored substance

Thiofentanil is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Our policy on controlled substances

Thiofentanil price

Indicative price range per kg from live supplier offers

Prices are not shown for prohibited substances.

Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

Controlled or monitored substance

Thiofentanil is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Our policy on controlled substances

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Thiofentanil 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 Thiofentanil is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Thiofentanil?

Thiofentanil is a chemical substance with the molecular formula C22H28N2O3S and a molar mass of 400.54 g/mol. Its CAS registry number is 60771-38-2. The IUPAC name is methyl 4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidine-4-carboxylate.

What is the CAS number of Thiofentanil?

The CAS registry number of Thiofentanil is 60771-38-2. Other or deprecated CAS numbers: 1185004-68-5.

What is the molecular formula and weight of Thiofentanil?

The molecular formula of Thiofentanil is C22H28N2O3S and its molar mass is 400.54 g/mol.

What is Thiofentanil used for?

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

Is Thiofentanil hazardous?

No GHS hazard classification for Thiofentanil 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 Thiofentanil?

Thiofentanil 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.

Can I buy Thiofentanil on CompoundList?

No. Thiofentanil is on our prohibited list, so listings, quotes and messages for it are disabled. This page is kept for information only.

Guides for buyers

Practical guides that help when you source, ship or handle Thiofentanil

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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