Home/Chemicals/50-89-5

Chemical substance record

Thymidine

50-89-5C₁₀H₁₄N₂O₅242.231 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A pyrimidine 2'-deoxyribonucleoside having thymine as the nucleobase. — ChEBI

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Identity & molecular properties

Source-linked values

CAS number	50-89-5	ChEBI ↗
Molecular formula	C₁₀H₁₄N₂O₅	ChEBI ↗
Molar mass	242.231 g/mol	ChEBI ↗
Monoisotopic mass	242.09027 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:17748	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	242.23 g/mol	PubChem ↗
Exact mass	242.09027155 Da	PubChem ↗
Computed XLogP	-1.2	PubChem ↗
Topological polar surface area (Å²)	99.1	PubChem ↗
H-bond donors	3	PubChem ↗
H-bond acceptors	5	PubChem ↗
Rotatable bonds	2	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

thymidine

IUPAC name

thymidine

InChIKey

IQFYYKKMVGJFEH-XLPZGREQSA-N

SMILES

Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1=O

InChI

InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1

Classification & relationships

ChEBI ontology

pyrimidine 2'-deoxyribonucleosideChEBI parent class · 19255 ↗

nucleoside organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

metaboliteantineoplastic agentmouse metaboliteEscherichia coli metabolitehuman metabolite

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00412829 mol

Uses 242.231 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 10 atoms

49.58%

O

Oxygen · 5 atoms

33.02%

N

Nitrogen · 2 atoms

11.56%

H

Hydrogen · 14 atoms

5.83%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Annotation of the human adult urinary metabolome and metabolite identification using ultra high performance liquid chromatography coupled to a linear quadrupole ion trap-Orbitrap mass spectrometer. ↗Analytical chemistry · 2012 Aug 7 · PMID 22770225

Antibody-nucleic acid complexes. Oligo(dG)n and -(dT)n specificities associated with anti-DNA antibodies from autoimmune MRL mice. ↗Biochemistry · 1989 Dec 26 · PMID 2559771

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:17748

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 5789 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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