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Nucleosides and nucleotides

Thioxopurinone

Also known as 2-sulfanylidene-7,9-dihydro-3H-purin-8-one, 8-hydroxy-2-mercaptopurine, 2-Sulfanylidene-2,3,7,9-tetrahydro-8H-purin-8-one

CAS 89282-20-2Formula C5H4N4OSMolar mass 168.18 g/mol
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Thioxopurinone chemical structure, C5H4N4OS, CAS 89282-20-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
89282-20-2
Formula
C5H4N4OS
Molar mass
168.18 g/mol
HS code
293359
Category
Nucleosides and nucleotides

What is Thioxopurinone?

Plain description, key identifiers and synonyms

Thioxopurinone is a chemical substance with the molecular formula C5H4N4OS and a molar mass of 168.18 g/mol. Its CAS registry number is 89282-20-2. The IUPAC name is 2-sulfanylidene-7,9-dihydro-3H-purin-8-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-sulfanylidene-7,9-dihydro-3H-purin-8-one
CAS number
89282-20-2 CAS number cross-checked
Molecular formula
C5H4N4OS
InChIKey
DXKLAQMZDYZMFM-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N4OS/c10-4-7-2-1-6-5(11)9-3(2)8-4/h1H,(H3,6,7,8,9,10,11)
SMILES (canonical and isomeric)
C1=NC(=S)NC2=C1NC(=O)N2

Synonyms

  • 2-sulfanylidene-7,9-dihydro-3H-purin-8-one
  • 8-hydroxy-2-mercaptopurine
  • 2-Sulfanylidene-2,3,7,9-tetrahydro-8H-purin-8-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
168.18 g/molcalc.
Exact mass
168.0106 Dacalc.
LogP (octanol/water)
0.31calc.
Topological polar surface area
77.33 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
11calc.
Rings
2calc.
Aromatic rings
2calc.
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=c1[nH]c2cnc(=S)[nH]c2[nH]1

O=c1[nH]c2cnc(=S)[nH]c2[nH]1

2 rings, 11 atoms. This chemical is the scaffold itself.

No other chemical in our database has 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.

Thioxopurinone suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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Thioxopurinone 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Thioxopurinone is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Thioxopurinone?

Thioxopurinone is a chemical substance with the molecular formula C5H4N4OS and a molar mass of 168.18 g/mol. Its CAS registry number is 89282-20-2. The IUPAC name is 2-sulfanylidene-7,9-dihydro-3H-purin-8-one.

What is the CAS number of Thioxopurinone?

The CAS registry number of Thioxopurinone is 89282-20-2.

What is the molecular formula and weight of Thioxopurinone?

The molecular formula of Thioxopurinone is C5H4N4OS and its molar mass is 168.18 g/mol.

Is Thioxopurinone hazardous?

No GHS hazard classification for Thioxopurinone 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 Thioxopurinone?

Thioxopurinone is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Thioxopurinone?

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

What is the price of Thioxopurinone?

Suppliers quote Thioxopurinone 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 Thioxopurinone

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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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