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Heterocyclic building blocks

Thymine dimer

Also known as Cyclobutadithymine, (1R,2S,7S,8R)-7,8-dimethyl-3,5,10,12-tetrazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone, Thymine-thymine

CAS 3660-32-0Formula C10H12N4O4Molar mass 252.23 g/mol
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Thymine dimer chemical structure, C10H12N4O4, CAS 3660-32-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3660-32-0
Formula
C10H12N4O4
Molar mass
252.23 g/mol
HS code
293359
Category
Heterocyclic building blocks

What is Thymine dimer?

Plain description, key identifiers and synonyms

Thymine dimer is a chemical substance with the molecular formula C10H12N4O4 and a molar mass of 252.23 g/mol. Its CAS registry number is 3660-32-0. The IUPAC name is (1R,2S,7S,8R)-7,8-dimethyl-3,5,10,12-tetrazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2S,7S,8R)-7,8-dimethyl-3,5,10,12-tetrazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone
CAS number
3660-32-0
Molecular formula
C10H12N4O4
InChIKey
ASJWEHCPLGMOJE-LJMGSBPFSA-N
InChI
InChI=1S/C10H12N4O4/c1-9-3(11-7(17)13-5(9)15)4-10(9,2)6(16)14-8(18)12-4/h3-4H,1-2H3,(H2,11,13,15,17)(H2,12,14,16,18)/t3-,4+,9+,10-
Canonical SMILES
CC12C(=O)NC(=O)NC1C1NC(=O)NC(=O)C12C
Isomeric SMILES
C[C@@]12[C@@H]([C@H]3[C@@]1(C(=O)NC(=O)N3)C)NC(=O)NC2=O

Synonyms

  • Cyclobutadithymine
  • (1R,2S,7S,8R)-7,8-dimethyl-3,5,10,12-tetrazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone
  • Thymine-thymine
  • cis-syn-Thymine
  • Pyrimidine Dimers
  • Cyclobuta(1,2-d:4,3-d')dipyrimidine-2,4,5,7(3H,6H)-tetrone, hexahydro-4a,4b-dimethyl-, (4aalpha,4balpha,8aalpha,8balpha)-
  • (1R,2S,7S,8R)-7,8-dimethyl-3,5,10,12-tetrazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone, cis/syn Thymin dimer
  • (1S,2R,7R,8S)-7,8-dimethyl-3,5,10,12-tetrazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone

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
252.23 g/molcalc.
Exact mass
252.0859 Dacalc.
LogP (octanol/water)
-1.57calc.
Topological polar surface area
116.4 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
0calc.
Heavy atoms
18calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.6calc.
Formal charge
0calc.
Stereocentres
4calc.
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=C1NC(=O)C2C(N1)C1NC(=O)NC(=O)C12

O=C1NC(=O)C2C(N1)C1NC(=O)NC(=O)C12

3 rings, 16 atoms.

2 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 dimer suppliers

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

All 2 suppliers
  • EvitaChem
    China, BeijingUnclaimed profile
    Thymine dimerGrade, purity and minimum order on request
    Price on request
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  • OpalOrga
    France, SamerUnclaimed profile
    Thymine dimerGrade, purity and minimum order on request
    Price on request
    View

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Where suppliers are based

2 suppliers in 2 countries

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

Frequently asked questions

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

What is Thymine dimer?

Thymine dimer is a chemical substance with the molecular formula C10H12N4O4 and a molar mass of 252.23 g/mol. Its CAS registry number is 3660-32-0. The IUPAC name is (1R,2S,7S,8R)-7,8-dimethyl-3,5,10,12-tetrazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone.

What is the CAS number of Thymine dimer?

The CAS registry number of Thymine dimer is 3660-32-0.

What is the molecular formula and weight of Thymine dimer?

The molecular formula of Thymine dimer is C10H12N4O4 and its molar mass is 252.23 g/mol.

What is Thymine dimer used for?

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

Is Thymine dimer hazardous?

No GHS hazard classification for Thymine dimer 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 dimer?

Thymine dimer 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 Thymine dimer?

CompoundList lists 2 suppliers of Thymine dimer in China and France. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Thymine dimer?

Suppliers quote Thymine dimer on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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