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Screening compounds

Thymidine dimer

Also known as cyclobutane_dTdT, 1,8-bis(2-deoxy-beta-D-erythro-pentofuranosyl)-4a,4b-dimethylhexahydrocyclobuta[1,2-d:4,3-d']dipyrimidine-2,4,5,7(3H,6H)-tetrone

CAS 100455-81-0Formula C20H28N4O10Molar mass 484.46 g/mol
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Thymidine dimer chemical structure, C20H28N4O10, CAS 100455-81-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
100455-81-0
Formula
C20H28N4O10
Molar mass
484.46 g/mol
HS code
293499
Category
Screening compounds

What is Thymidine dimer?

Plain description, key identifiers and synonyms

Thymidine dimer is a nucleoside analogue obtained by formal cyclodimerisation of thymidine. It has a role as a Mycoplasma genitalium metabolite. It is a cyclobutadipyrimidine and a nucleoside analogue.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3,12-bis[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dimethyl-3,5,10,12-tetrazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone
CAS number
100455-81-0
Molecular formula
C20H28N4O10
InChIKey
YAHHPOUXPBUKTL-DXKBKMAZSA-N
InChI
InChI=1S/C20H28N4O10/c1-19-13(23(17(31)21-15(19)29)11-3-7(27)9(5-25)33-11)14-20(19,2)16(30)22-18(32)24(14)12-4-8(28)10(6-26)34-12/h7-14,25-28H,3-6H2,1-2H3,(H,21,29,31)(H,22,30,32)/t7-,8-,9+,10+,11+,12+,13?,14?,19?,20?/m0/s1
Canonical SMILES
CC12C(=O)NC(=O)N(C3CC(O)C(CO)O3)C1C1N(C3CC(O)C(CO)O3)C(=O)NC(=O)C12C
Isomeric SMILES
CC12C(C3C1(C(=O)NC(=O)N3[C@H]4C[C@@H]([C@H](O4)CO)O)C)N(C(=O)NC2=O)[C@H]5C[C@@H]([C@H](O5)CO)O

Synonyms

  • cyclobutane_dTdT
  • 1,8-bis(2-deoxy-beta-D-erythro-pentofuranosyl)-4a,4b-dimethylhexahydrocyclobuta[1,2-d:4,3-d']dipyrimidine-2,4,5,7(3H,6H)-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
484.46 g/molcalc.
Exact mass
484.1805 Dacalc.
LogP (octanol/water)
-3.21calc.
Topological polar surface area
198.2 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
4calc.
Heavy atoms
34calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.8calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Passes (1 violation)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)N(C2CCCO2)C2C1C1C(=O)NC(=O)N(C3CCCO3)C12

O=C1NC(=O)N(C2CCCO2)C2C1C1C(=O)NC(=O)N(C3CCCO3)C12

5 rings, 26 atoms.

1 other chemical 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.

Thymidine dimer suppliers

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Thymidine 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

Roles

  • Mycoplasma genitalium metabolite
  • bacterial metabolite
  • metabolite
  • prokaryotic metabolite

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

Frequently asked questions

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

What is Thymidine dimer?

Thymidine dimer is a nucleoside analogue obtained by formal cyclodimerisation of thymidine. It has a role as a Mycoplasma genitalium metabolite. It is a cyclobutadipyrimidine and a nucleoside analogue.

What is the CAS number of Thymidine dimer?

The CAS registry number of Thymidine dimer is 100455-81-0.

What is the molecular formula and weight of Thymidine dimer?

The molecular formula of Thymidine dimer is C20H28N4O10 and its molar mass is 484.46 g/mol.

What is Thymidine dimer used for?

Known uses and roles of Thymidine dimer include building blocks in research and laboratory, screening compounds in research and laboratory, mycoplasma genitalium metabolite, bacterial metabolite, metabolite and 1 more.

Is Thymidine dimer hazardous?

No GHS hazard classification for Thymidine 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 Thymidine dimer?

Thymidine dimer 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 Thymidine dimer?

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What is the price of Thymidine dimer?

Suppliers quote Thymidine dimer 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 Thymidine dimer

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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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