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Isotope-labelled compounds

Thymine-d3

Also known as 5-(trideuteriomethyl)-1H-pyrimidine-2,4-dione, 5-(?H?)methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, Thymine Methyl-d

CAS 68941-98-0Formula C5H6N2O2Molar mass 129.13 g/mol
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Thymine-d3 chemical structure, C5H6N2O2, CAS 68941-98-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
68941-98-0
Formula
C5H6N2O2
Molar mass
129.13 g/mol
HS code
284590
Category
Isotope-labelled compounds

What is Thymine-d3?

Plain description, key identifiers and synonyms

5-(Trideuteriomethyl)-1H-pyrimidine-2,4-dione is a pyrimidone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-(trideuteriomethyl)-1H-pyrimidine-2,4-dione
CAS number
68941-98-0 CAS number cross-checked
Molecular formula
C5H6N2O2
MDL number
MFCD09841330
InChIKey
RWQNBRDOKXIBIV-FIBGUPNXSA-N
InChI
InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)/i1D3
Canonical SMILES
Cc1c[nH]c(=O)[nH]c1=O
Isomeric SMILES
[2H]C([2H])([2H])C1=CNC(=O)NC1=O

Synonyms

  • 5-(trideuteriomethyl)-1H-pyrimidine-2,4-dione
  • 5-(?H?)methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
  • Thymine Methyl-d
  • 5-(~2~H_3_)Methylpyrimidine-2,4(1H,3H)-dione

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
129.13 g/molcalc.
Exact mass
129.0618 Dacalc.
LogP (octanol/water)
-0.63calc.
Topological polar surface area
65.72 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
9calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.2calc.
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=c1cc[nH]c(=O)[nH]1

O=c1cc[nH]c(=O)[nH]1

1 ring, 8 atoms, the Uracil ring system.

2,933 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.

Thymine-d3 suppliers

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Thymine-d3 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-d3 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Thymine-d3 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Thymine-d3, based on the data on this page

What is Thymine-d3?

5-(Trideuteriomethyl)-1H-pyrimidine-2,4-dione is a pyrimidone.

What is the CAS number of Thymine-d3?

The CAS registry number of Thymine-d3 is 68941-98-0.

What is the molecular formula and weight of Thymine-d3?

The molecular formula of Thymine-d3 is C5H6N2O2 and its molar mass is 129.13 g/mol.

What is Thymine-d3 used for?

Known uses and roles of Thymine-d3 include isotope-labelled compounds in research and laboratory.

Is Thymine-d3 hazardous?

No GHS hazard classification for Thymine-d3 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-d3?

Thymine-d3 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Thymine-d3?

Post a free request on CompoundList and suppliers of Thymine-d3 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Thymine-d3?

Suppliers quote Thymine-d3 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-d3

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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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