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Heterocyclic building blocks

Thymine lactone

Also known as 4-Hydroxy-5-methyl-1-[(2-methyl-4-methylidene-5-oxooxolan-2-yl)methyl]pyrimidin-2(1H)-one

CAS 68322-90-7Formula C12H14N2O4Molar mass 250.25 g/mol
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Thymine lactone chemical structure, C12H14N2O4, CAS 68322-90-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
68322-90-7
Formula
C12H14N2O4
Molar mass
250.25 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Thymine lactone?

Plain description, key identifiers and synonyms

Thymine lactone is a chemical substance with the molecular formula C12H14N2O4 and a molar mass of 250.25 g/mol. Its CAS registry number is 68322-90-7. The IUPAC name is 5-methyl-1-[(2-methyl-4-methylidene-5-oxooxolan-2-yl)methyl]pyrimidine-2,4-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-methyl-1-[(2-methyl-4-methylidene-5-oxooxolan-2-yl)methyl]pyrimidine-2,4-dione
CAS number
68322-90-7 CAS number cross-checked
Molecular formula
C12H14N2O4
InChIKey
JSCACTJRJZNNQC-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N2O4/c1-7-4-12(3,18-10(7)16)6-14-5-8(2)9(15)13-11(14)17/h5H,1,4,6H2,2-3H3,(H,13,15,17)
SMILES (canonical and isomeric)
CC1=CN(C(=O)NC1=O)CC2(CC(=C)C(=O)O2)C

Synonyms

  • 4-Hydroxy-5-methyl-1-[(2-methyl-4-methylidene-5-oxooxolan-2-yl)methyl]pyrimidin-2(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
250.25 g/molcalc.
Exact mass
250.0954 Dacalc.
LogP (octanol/water)
0.11calc.
Topological polar surface area
81.16 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
18calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.42calc.
Formal charge
0calc.
Stereocentres
1calc.
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, C=C1CC(Cn2ccc(=O)[nH]c2=O)OC1=O

C=C1CC(Cn2ccc(=O)[nH]c2=O)OC1=O

2 rings, 16 atoms.

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.

Thymine lactone suppliers

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

Frequently asked questions

Quick answers about Thymine lactone, based on the data on this page

What is Thymine lactone?

Thymine lactone is a chemical substance with the molecular formula C12H14N2O4 and a molar mass of 250.25 g/mol. Its CAS registry number is 68322-90-7. The IUPAC name is 5-methyl-1-[(2-methyl-4-methylidene-5-oxooxolan-2-yl)methyl]pyrimidine-2,4-dione.

What is the CAS number of Thymine lactone?

The CAS registry number of Thymine lactone is 68322-90-7.

What is the molecular formula and weight of Thymine lactone?

The molecular formula of Thymine lactone is C12H14N2O4 and its molar mass is 250.25 g/mol.

What is Thymine lactone used for?

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

Is Thymine lactone hazardous?

No GHS hazard classification for Thymine lactone 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 Thymine lactone?

Thymine lactone 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 Thymine lactone?

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

What is the price of Thymine lactone?

Suppliers quote Thymine lactone 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 Thymine lactone

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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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