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Screening compounds

MI-4F

Also known as 2-(4-Fluorostyryl)-3-phenyl-5-(phenylamino)-1,3,4-thiadiazol-3-ium chloride, 2-[2-(4-Fluorophenyl)ethenyl]-3-phenyl-5-(phenylamino)-1,3,4-thiadiazolium chloride

CAS 346460-45-5Formula C22H17ClFN3SMolar mass 409.92 g/molEC 110-837-4
GHS signal word: Warning. Pictograms: Harmful or irritant
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MI-4F chemical structure, C22H17ClFN3S, CAS 346460-45-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
346460-45-5
Formula
C22H17ClFN3S
Molar mass
409.92 g/mol
EC number
110-837-4
HS code
293499
Category
Screening compounds

What is MI-4F?

Plain description, key identifiers and synonyms

MI-4F is a chemical substance with the molecular formula C22H17ClFN3S and a molar mass of 409.92 g/mol. Its CAS registry number is 346460-45-5. The IUPAC name is 5-[(E)-2-(4-fluorophenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[(E)-2-(4-fluorophenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride
CAS number
346460-45-5
EC number
110-837-4
Molecular formula
C22H17ClFN3S
InChIKey
GLQRUQJJAJQPQX-ZUQRMPMESA-M
InChI
InChI=1S/C22H17FN3S.ClH/c23-18-14-11-17(12-15-18)13-16-21-26(20-9-5-2-6-10-20)25-22(27-21)24-19-7-3-1-4-8-19;/h1-16H,(H,24,25);1H/q+1;/p-1/b16-13+;
Canonical SMILES
Fc1ccc(C=Cc2sc(Nc3ccccc3)n[n+]2-c2ccccc2)cc1.[Cl-]
Isomeric SMILES
C1=CC=C(C=C1)NC2=N[N+](=C(S2)/C=C/C3=CC=C(C=C3)F)C4=CC=CC=C4.[Cl-]

Synonyms

  • 2-(4-Fluorostyryl)-3-phenyl-5-(phenylamino)-1,3,4-thiadiazol-3-ium chloride
  • 2-[2-(4-Fluorophenyl)ethenyl]-3-phenyl-5-(phenylamino)-1,3,4-thiadiazolium chloride

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
409.92 g/molcalc.
Exact mass
409.0816 Dacalc.
LogP (octanol/water)
2.48calc.
Topological polar surface area
28.8 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
5calc.
Heavy atoms
28calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0calc.
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, C(=Cc1sc(Nc2ccccc2)n[n+]1-c1ccccc1)c1ccccc1

C(=Cc1sc(Nc2ccccc2)n[n+]1-c1ccccc1)c1ccccc1

4 rings, 26 atoms.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
Precautionary statements (9)
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

MI-4F suppliers

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MI-4F price

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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 MI-4F 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 MI-4F is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about MI-4F, based on the data on this page

What is MI-4F?

MI-4F is a chemical substance with the molecular formula C22H17ClFN3S and a molar mass of 409.92 g/mol. Its CAS registry number is 346460-45-5. The IUPAC name is 5-[(E)-2-(4-fluorophenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride.

What is the CAS number of MI-4F?

The CAS registry number of MI-4F is 346460-45-5.

What is the molecular formula and weight of MI-4F?

The molecular formula of MI-4F is C22H17ClFN3S and its molar mass is 409.92 g/mol.

What is MI-4F used for?

Known uses and roles of MI-4F include building blocks in research and laboratory and screening compounds in research and laboratory.

Is MI-4F hazardous?

MI-4F carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of MI-4F?

MI-4F 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 MI-4F?

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What is the price of MI-4F?

Suppliers quote MI-4F on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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