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Screening compounds

Pyochelin

Also known as Pyochelin I, (2r,4r)-2-[(4r)-2-(2-Hydroxyphenyl)-4,5-Dihydro-1,3-Thiazol-4-Yl]-3-Methyl-1,3-Thiazolidine-4-Carboxylic Acid, (2R,4R)-2-((R)-2-(2-Hydroxyphenyl)-4,5-dihydrothiazol-4-yl)-3-methylthiazolidine-4-carboxylic acid

CAS 69772-54-9Formula C14H16N2O3S2Molar mass 324.43 g/mol
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Pyochelin chemical structure, C14H16N2O3S2, CAS 69772-54-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
69772-54-9
Formula
C14H16N2O3S2
Molar mass
324.43 g/mol
HS code
293410
Category
Screening compounds

What is Pyochelin?

Plain description, key identifiers and synonyms

Pyochelin I is a pyochelin that has R-stereochemistry at the thioaminal centre, the diastereoisomer with S-stereochemistry at this centre is pyochelin II. Pseudomonas aeruginosa produces a mixture of pyochelin I (major) and pyochelin II (minor) via condensation of salicylic acid and two molecules of cysteine. The enantiomeric compounds, enant-pyochelin I and II, are produced by Pseudomonas fluorescens.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid
CAS number
69772-54-9Other or deprecated CAS: 79236-62-7
Molecular formula
C14H16N2O3S2
InChIKey
NYBZAGXTZXPYND-GBIKHYSHSA-N
InChI
InChI=1S/C14H16N2O3S2/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17/h2-5,9-10,13,17H,6-7H2,1H3,(H,18,19)/t9-,10+,13-/m1/s1
Canonical SMILES
CN1C(C(=O)O)CSC1C1CSC(c2ccccc2O)=N1
Isomeric SMILES
CN1[C@@H](CS[C@@H]1[C@H]2CSC(=N2)C3=CC=CC=C3O)C(=O)O

Synonyms

  • Pyochelin I
  • (2r,4r)-2-[(4r)-2-(2-Hydroxyphenyl)-4,5-Dihydro-1,3-Thiazol-4-Yl]-3-Methyl-1,3-Thiazolidine-4-Carboxylic Acid
  • (2R,4R)-2-((R)-2-(2-Hydroxyphenyl)-4,5-dihydrothiazol-4-yl)-3-methylthiazolidine-4-carboxylic acid
  • Pyocheline
  • Chelins, pyo
  • (4'R,2''R,4''R)-2'-(2-hydroxyphenyl)-3''-methyl-2'',3'',4'',4',5'-hexahydro-[2,4']-bisthiazolyl-4''-carboxylic acid
  • Siderophores, pyochelins
  • Pyochelins
  • (2R,4R)-2-((R)-2-(2-Hydroxyphenyl)-4,5-dihydrothiazol-4-yl)-3-methylthiazolidine-4-carboxylicacid

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
324.43 g/molcalc.
Exact mass
324.0602 Dacalc.
LogP (octanol/water)
1.71calc.
Topological polar surface area
73.13 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
3calc.
Heavy atoms
21calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.43calc.
Formal charge
0calc.
Stereocentres
3calc.
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(C2=NC(C3NCCS3)CS2)cc1

c1ccc(C2=NC(C3NCCS3)CS2)cc1

3 rings, 16 atoms.

9 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.

Pyochelin suppliers

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Pyochelin 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

Pharmacological actions

  • Antifungal Agents
  • Iron Chelating Agents
  • Siderophores

Roles

  • biophysical role
  • chelator
  • cofactor
  • ionophore
  • iron chelator
  • iron ionophore
  • iron(3+) chelator
  • ligand
  • membrane transport modulator
  • metabolite
  • siderophore

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 Pyochelin is traded under.

HS 2934.10Indicative HS code

Compounds containing an unfused thiazole ring (whether or not hydrogenated) in the…

World exports in 2024
$3.88B
−16.1% vs 2023, imports $3.12B
2019 to 2024
Top exporters
  1. Switzerland * partner reported36.4%
  2. Ireland28.8%
  3. China10.0%
Top importers
  1. Canada33.4%
  2. United States14.4%
  3. Ireland13.1%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Pyochelin?

Pyochelin I is a pyochelin that has R-stereochemistry at the thioaminal centre, the diastereoisomer with S-stereochemistry at this centre is pyochelin II. Pseudomonas aeruginosa produces a mixture of pyochelin I (major) and pyochelin II (minor) via condensation of salicylic acid and two molecules of cysteine.

What is the CAS number of Pyochelin?

The CAS registry number of Pyochelin is 69772-54-9. Other or deprecated CAS numbers: 79236-62-7.

What is the molecular formula and weight of Pyochelin?

The molecular formula of Pyochelin is C14H16N2O3S2 and its molar mass is 324.43 g/mol.

What is Pyochelin used for?

Known uses and roles of Pyochelin include building blocks in research and laboratory, screening compounds in research and laboratory, biophysical role, chelator, cofactor and 11 more.

Is Pyochelin hazardous?

No GHS hazard classification for Pyochelin 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 Pyochelin?

Pyochelin is usually classified under HS code 293410 (Compounds containing an unfused thiazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pyochelin?

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What is the price of Pyochelin?

Suppliers quote Pyochelin 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 Pyochelin

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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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