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Heterocyclic building blocks

Thionol

Also known as 3H-Phenothiazin-3-one, 7-hydroxy-, 7-hydroxy-3H-phenothiazin-3-one, Thionol-

CAS 3568-81-8Formula C12H7NO2SMolar mass 229.26 g/mol
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Thionol chemical structure, C12H7NO2S, CAS 3568-81-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3568-81-8
Formula
C12H7NO2S
Molar mass
229.26 g/mol
HS code
293430
Category
Heterocyclic building blocks

What is Thionol?

Plain description, key identifiers and synonyms

Thionol is a chemical substance with the molecular formula C12H7NO2S and a molar mass of 229.26 g/mol. Its CAS registry number is 3568-81-8. The IUPAC name is 7-hydroxyphenothiazin-3-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
7-hydroxyphenothiazin-3-one
CAS number
3568-81-8 CAS number cross-checked
Molecular formula
C12H7NO2S
UNII
F6FO0FJ08U
InChIKey
GSEOMGSFLQCKRO-UHFFFAOYSA-N
InChI
InChI=1S/C12H7NO2S/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H
SMILES (canonical and isomeric)
C1=CC2=C(C=C1O)SC3=CC(=O)C=CC3=N2

Synonyms

  • 3H-Phenothiazin-3-one, 7-hydroxy-
  • 7-hydroxy-3H-phenothiazin-3-one
  • Thionol-
  • 7-Hydroxy-3H-phenothiazine-3-one
  • 7-hydroxyphenothiazin-3-one
  • 3-hydroxy-phenothiazine-7-one
  • phenothiazin-5-ium-3,7-diol
  • 7-Hydroxy-3H-isophenothiazin-3-one

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
229.26 g/molcalc.
Exact mass
229.0197 Dacalc.
LogP (octanol/water)
2.47calc.
Topological polar surface area
50.19 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
0calc.
Heavy atoms
16calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0calc.
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, O=c1ccc2nc3ccccc3sc-2c1

O=c1ccc2nc3ccccc3sc-2c1

3 rings, 15 atoms, the Phenothiazone ring system.

59 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.

Thionol suppliers

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Thionol 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 Thionol is traded under.

HS 2934.30Indicative HS code

Compounds containing in the structure a phenothiazine ring-system (whether or not…

World exports in 2024
$89.3M
−7.1% vs 2023, imports $97M
2019 to 2024
Top exporters
  1. Germany21.6%
  2. France * partner reported14.6%
  3. China13.0%
Top importers
  1. United States14.2%
  2. Brazil12.7%
  3. India * partner reported10.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Thionol?

Thionol is a chemical substance with the molecular formula C12H7NO2S and a molar mass of 229.26 g/mol. Its CAS registry number is 3568-81-8. The IUPAC name is 7-hydroxyphenothiazin-3-one.

What is the CAS number of Thionol?

The CAS registry number of Thionol is 3568-81-8.

What is the molecular formula and weight of Thionol?

The molecular formula of Thionol is C12H7NO2S and its molar mass is 229.26 g/mol.

What is Thionol used for?

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

Is Thionol hazardous?

No GHS hazard classification for Thionol 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 Thionol?

Thionol is usually classified under HS code 293430 (Compounds containing in the structure a phenothiazine ring-system (whether or not…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Thionol?

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What is the price of Thionol?

Suppliers quote Thionol 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 Thionol

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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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