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Screening compounds

3-Methylthiofentanyl

Also known as 3-Methyl-thiofentanyl, Propanamide, N-(3-methyl-1-(2-(2-thienyl)ethyl)-4-piperidinyl)-N-phenyl-, N-(3-Methyl-1-(2-thienyl)ethyl-4-piperidinyl)-N-phenylpropanamide

CAS 86052-04-2Formula C21H28N2OSMolar mass 356.54 g/mol
Prohibited, not for trade
Why it is not for trade
3-Methylthiofentanyl chemical structure, C21H28N2OS, CAS 86052-04-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
86052-04-2
Formula
C21H28N2OS
Molar mass
356.54 g/mol
HS code
293499
Category
Screening compounds

What is 3-Methylthiofentanyl?

Plain description, key identifiers and synonyms

3-methylthiofentanyl is a piperidine compound having a (2-thienyl)ethyl substituent at the 1-position, a methyl group at the 3-position and an N-phenylpropanamido group at the 4-position. It has a role as an opioid analgesic. It is an anilide, a member of piperidines, a member of thiophenes and a monocarboxylic acid amide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CAS number
86052-04-2 CAS number cross-checked
Molecular formula
C21H28N2OS
UNII
C9C204973M
InChIKey
SRARDYUHGVMEQI-UHFFFAOYSA-N
InChI
InChI=1S/C21H28N2OS/c1-3-21(24)23(18-8-5-4-6-9-18)20-12-14-22(16-17(20)2)13-11-19-10-7-15-25-19/h4-10,15,17,20H,3,11-14,16H2,1-2H3
SMILES (canonical and isomeric)
CCC(=O)N(C1CCN(CC1C)CCC2=CC=CS2)C3=CC=CC=C3

Synonyms

  • 3-Methyl-thiofentanyl
  • Propanamide, N-(3-methyl-1-(2-(2-thienyl)ethyl)-4-piperidinyl)-N-phenyl-
  • N-(3-Methyl-1-(2-thienyl)ethyl-4-piperidinyl)-N-phenylpropanamide
  • N-{3-methyl-1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}-N-phenylpropanamide
  • N-{3-methyl-1-[2-(2-thienyl)ethyl]piperidin-4-yl}-N-phenylpropanamide
  • 3-Methylthiofentanil
  • N-(3-methyl-1-(2-(2-thienyl)ethyl)piperidin-4-yl)-N-phenylpropanamide
  • N-(3-methyl-1-(2-(thiophen-2-yl)ethyl)piperidin-4-yl)-N-phenylpropanamide
  • IDS-NM-024(SECT.3)
  • 3-Methylthiofentanyl (1.0 mg/mL in Methanol)
  • 3-Methylthio Fentanyl (1mg/ml in Acetonitrile)
  • DEA No. 9833
  • 3-Methylthiofentanyl (1 mg/mL in Methanol)
  • N-{3-Methyl-1-[2-(2-thienyl)ethyl]-4-piperidyl}propionanilide

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
356.54 g/molcalc.
Exact mass
356.1922 Dacalc.
LogP (octanol/water)
4.44calc.
Topological polar surface area
23.55 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
6calc.
Heavy atoms
25calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.48calc.
Formal charge
0calc.
Stereocentres
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, 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.

3-Methylthiofentanyl suppliers

Trading restrictions apply to this substance

Narcotic drug

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

Listing and enquiries are not allowed for this substance.

Reference: UN Single Convention on Narcotic Drugs 1961

Our policy on controlled substances

3-Methylthiofentanyl 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

Roles

  • analgesic
  • opioid analgesic
  • pharmaceutical

Regulatory status

Inventories, regulations and trade controls that list this substance

Narcotic drug

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

Listing and enquiries are not allowed for this substance.

Reference: UN Single Convention on Narcotic Drugs 1961

Our policy on controlled substances

Controls

  • US DEA controlled substance or listed chemical
  • Controlled narcotic drug

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 3-Methylthiofentanyl 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 3-Methylthiofentanyl is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3-Methylthiofentanyl, based on the data on this page

What is 3-Methylthiofentanyl?

3-methylthiofentanyl is a piperidine compound having a (2-thienyl)ethyl substituent at the 1-position, a methyl group at the 3-position and an N-phenylpropanamido group at the 4-position. It has a role as an opioid analgesic.

What is the CAS number of 3-Methylthiofentanyl?

The CAS registry number of 3-Methylthiofentanyl is 86052-04-2.

What is the molecular formula and weight of 3-Methylthiofentanyl?

The molecular formula of 3-Methylthiofentanyl is C21H28N2OS and its molar mass is 356.54 g/mol.

What is 3-Methylthiofentanyl used for?

Known uses and roles of 3-Methylthiofentanyl include building blocks in research and laboratory, screening compounds in research and laboratory, analgesic, opioid analgesic and pharmaceutical.

Is 3-Methylthiofentanyl hazardous?

No GHS hazard classification for 3-Methylthiofentanyl 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 3-Methylthiofentanyl?

3-Methylthiofentanyl 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 3-Methylthiofentanyl on CompoundList?

No. 3-Methylthiofentanyl 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 3-Methylthiofentanyl

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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