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Screening compounds

TK2Mrf2H9Z

Also known as 2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethyl methanesulfonate, 1H-Pyrrole-1-ethanol, 2-methyl-5-[4-(methylthio)phenyl]-, 1-methanesulfonate

CAS 494850-87-2Formula C15H19NO3S2Molar mass 325.46 g/mol
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TK2Mrf2H9Z chemical structure, C15H19NO3S2, CAS 494850-87-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
494850-87-2
Formula
C15H19NO3S2
Molar mass
325.46 g/mol
HS code
293399
Category
Screening compounds

What is TK2Mrf2H9Z?

Plain description, key identifiers and synonyms

TK2Mrf2H9Z is a chemical substance with the molecular formula C15H19NO3S2 and a molar mass of 325.46 g/mol. Its CAS registry number is 494850-87-2. The IUPAC name is 2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethyl methanesulfonate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethyl methanesulfonate
CAS number
494850-87-2
Molecular formula
C15H19NO3S2
UNII
TK2MRF2H9Z
InChIKey
ZEHQRPDYFZUDKB-UHFFFAOYSA-N
InChI
InChI=1S/C15H19NO3S2/c1-12-4-9-15(13-5-7-14(20-2)8-6-13)16(12)10-11-19-21(3,17)18/h4-9H,10-11H2,1-3H3
SMILES (canonical and isomeric)
CC1=CC=C(N1CCOS(=O)(=O)C)C2=CC=C(C=C2)SC

Synonyms

  • 2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethyl methanesulfonate
  • 1H-Pyrrole-1-ethanol, 2-methyl-5-[4-(methylthio)phenyl]-, 1-methanesulfonate

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
325.46 g/molcalc.
Exact mass
325.0806 Dacalc.
LogP (octanol/water)
3.16calc.
Topological polar surface area
48.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
21calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.33calc.
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(-c2ccc[nH]2)cc1

c1ccc(-c2ccc[nH]2)cc1

2 rings, 11 atoms, the 2-Phenylpyrrole ring system.

881 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.

TK2Mrf2H9Z suppliers

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TK2Mrf2H9Z 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 TK2Mrf2H9Z is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for TK2Mrf2H9Z is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about TK2Mrf2H9Z, based on the data on this page

What is TK2Mrf2H9Z?

TK2Mrf2H9Z is a chemical substance with the molecular formula C15H19NO3S2 and a molar mass of 325.46 g/mol. Its CAS registry number is 494850-87-2. The IUPAC name is 2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethyl methanesulfonate.

What is the CAS number of TK2Mrf2H9Z?

The CAS registry number of TK2Mrf2H9Z is 494850-87-2.

What is the molecular formula and weight of TK2Mrf2H9Z?

The molecular formula of TK2Mrf2H9Z is C15H19NO3S2 and its molar mass is 325.46 g/mol.

What is TK2Mrf2H9Z used for?

Known uses and roles of TK2Mrf2H9Z include building blocks in research and laboratory and screening compounds in research and laboratory.

Is TK2Mrf2H9Z hazardous?

No GHS hazard classification for TK2Mrf2H9Z 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 TK2Mrf2H9Z?

TK2Mrf2H9Z is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy TK2Mrf2H9Z?

Post a free request on CompoundList and suppliers of TK2Mrf2H9Z will send you quotes. Your contact details stay private until you accept a quote.

What is the price of TK2Mrf2H9Z?

Suppliers quote TK2Mrf2H9Z 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 TK2Mrf2H9Z

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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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