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Heterocyclic building blocks

ThPur

Also known as 2,3,8,9-Tetrahydro-2-thioxo-7H-(1,3)thiazino(2,3-i)purin-5-(1H)-one, 2-sulfanyl-1,7,8,9-tetrahydro-[1,3]thiazino[2,3-f]purin-5-one, 2-sulfanylidene-3,7,8,9-tetrahydro-1H-[1,3]thiazino[2,3-f]purin-5-one

CAS 146404-36-6Formula C8H8N4OS2Molar mass 240.31 g/mol
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ThPur chemical structure, C8H8N4OS2, CAS 146404-36-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
146404-36-6
Formula
C8H8N4OS2
Molar mass
240.31 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is ThPur?

Plain description, key identifiers and synonyms

ThPur is a chemical substance with the molecular formula C8H8N4OS2 and a molar mass of 240.31 g/mol. Its CAS registry number is 146404-36-6. The IUPAC name is 2-sulfanylidene-3,7,8,9-tetrahydro-1H-[1,3]thiazino[2,3-f]purin-5-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-sulfanylidene-3,7,8,9-tetrahydro-1H-[1,3]thiazino[2,3-f]purin-5-one
CAS number
146404-36-6 CAS number cross-checked
Molecular formula
C8H8N4OS2
InChIKey
CKEWFMNZSAGZMS-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N4OS2/c13-8-11-5-4(9-7(14)10-5)6-12(8)2-1-3-15-6/h1-3H2,(H2,9,10,11,13,14)
SMILES (canonical and isomeric)
C1CN2C(=C3C(=NC2=O)NC(=S)N3)SC1

Synonyms

  • 2,3,8,9-Tetrahydro-2-thioxo-7H-(1,3)thiazino(2,3-i)purin-5-(1H)-one
  • 2-sulfanyl-1,7,8,9-tetrahydro-[1,3]thiazino[2,3-f]purin-5-one
  • 2-sulfanylidene-3,7,8,9-tetrahydro-1H-[1,3]thiazino[2,3-f]purin-5-one
  • 2-Mercapto-7,8-dihydro-3H,6H-9-thia-1,3,4,5a-tetraaza-cyclopenta[a]naphthalen-5-one
  • 2-Sulfanylidene-2,4,8,9-tetrahydro-7H-[1,3]thiazino[2,3-i]purin-5(1H)-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
240.31 g/molcalc.
Exact mass
240.014 Dacalc.
LogP (octanol/water)
1.28calc.
Topological polar surface area
66.47 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
0calc.
Heavy atoms
15calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.38calc.
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=c1nc2[nH]c(=S)[nH]c2c2n1CCCS2

O=c1nc2[nH]c(=S)[nH]c2c2n1CCCS2

3 rings, 15 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.

ThPur suppliers

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ThPur price

Indicative price range per kg from live supplier offers

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Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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

Frequently asked questions

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

What is ThPur?

ThPur is a chemical substance with the molecular formula C8H8N4OS2 and a molar mass of 240.31 g/mol. Its CAS registry number is 146404-36-6. The IUPAC name is 2-sulfanylidene-3,7,8,9-tetrahydro-1H-[1,3]thiazino[2,3-f]purin-5-one.

What is the CAS number of ThPur?

The CAS registry number of ThPur is 146404-36-6.

What is the molecular formula and weight of ThPur?

The molecular formula of ThPur is C8H8N4OS2 and its molar mass is 240.31 g/mol.

What is ThPur used for?

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

Is ThPur hazardous?

No GHS hazard classification for ThPur 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 ThPur?

ThPur 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 ThPur?

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

What is the price of ThPur?

Suppliers quote ThPur 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 ThPur

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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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