3-METHYLTHYMIDINE
Modify Date: 2026-07-02 21:02:20
3-METHYLTHYMIDINE structure
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Common Name | 3-METHYLTHYMIDINE | ||
|---|---|---|---|---|
| CAS Number | 958-74-7 | Molecular Weight | 256.25500 | |
| Density | 1.409g/cm3 | Boiling Point | 457.7ºC at 760 mmHg | |
| Molecular Formula | C11H16N2O5 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 230.6ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.409g/cm3 |
|---|---|
| Boiling Point | 457.7ºC at 760 mmHg |
| Molecular Formula | C11H16N2O5 |
| Molecular Weight | 256.25500 |
| Flash Point | 230.6ºC |
| Exact Mass | 256.10600 |
| PSA | 93.69000 |
| Index of Refraction | 1.583 |
| InChIKey | JCVDICFLPGDHAT-DJLDLDEBSA-N |
| SMILES | Cc1cn(C2CC(O)C(CO)O2)c(=O)n(C)c1=O |
| Storage condition | -20°C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
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Version 1.3
Regulation (EC) No 1907/2006 1 - Product and Company Information Product Name3-METHYLTHYMIDINE 2 - Hazards Identification 3 - Composition/Information on Ingredients Product NameCAS #EC noAnnex I Index Number 3-METHYLTHYMIDINE958-74-7 NoneNone FormulaC11H16N2O5 Molecular Weight 256,2600 AMU 4 - First Aid Measures AFTER INHALATION If inhaled, remove to fresh air. If breathing becomes difficult, call a physician. AFTER SKIN CONTACT In case of skin contact, flush with copious amounts of water for at least 15 minutes. Remove contaminated clothing and shoes. Call a physician. AFTER EYE CONTACT In case of contact with eyes, flush with copious amounts of water for at least 15 minutes. Assure adequate flushing by separating the eyelids with fingers. Call a physician. AFTER INGESTION If swallowed, wash out mouth with water provided person is conscious. Call a physician. 5 - Fire Fighting Measures EXTINGUISHING MEDIA Suitable: Water spray. Carbon dioxide, dry chemical powder, or SIGMAwww.molbase.com appropriate foam. SPECIAL RISKS Specific Hazard(s): Emits toxic fumes under fire conditions. SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS Wear self-contained breathing apparatus and protective clothing to prevent contact with skin and eyes. 6 - Accidental Release Measures PROCEDURE(S) OF PERSONAL PRECAUTION(S) Wear protective equipment. METHODS FOR CLEANING UP Sweep up, place in a bag and hold for waste disposal. Avoid raising dust. Ventilate area and wash spill site after material pickup is complete. 7 - Handling and Storage STORAGE Store at -20°C 8 - Exposure Controls / Personal Protection ENGINEERING CONTROLS Mechanical exhaust required. PERSONAL PROTECTIVE EQUIPMENT Special Protective Measures: Wear appropriate government approved respirator, chemical-resistant gloves, safety goggles, other protective clothing. 9 - Physical and Chemical Properties pH N/A BP/BP RangeN/A MP/MP Range131,000. - 132,000 ° C. Flash PointN/A FlammabilityN/A Autoignition TempN/A Oxidizing Properties N/A Explosive Properties N/A Explosion LimitsN/A Vapor PressureN/A Partition Coefficient N/A ViscosityN/A Vapor DensityN/A Saturated Vapor Conc. N/A Evaporation RateN/A Bulk DensityN/A Decomposition Temp.N/A Solvent ContentN/A Water ContentN/A Surface TensionN/A ConductivityN/A Miscellaneous DataN/A SolubilityN/A SIGMAwww.molbase.com 10 - Stability and Reactivity STABILITY Stable: Stable. HAZARDOUS DECOMPOSITION PRODUCTS Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, and nitrogen oxides. HAZARDOUS POLYMERIZATION Hazardous Polymerization: Will not occur 11 - Toxicological Information ROUTE OF EXPOSURE Multiple Routes: May cause irritation. May be harmful by inhalation, ingestion, or skin absorption. CONDITIONS AGGRAVATED BY EXPOSURE The toxicological properties have not been thoroughly investigated. 12 - Ecological Information No data available. 13 - Disposal Considerations SUBSTANCE DISPOSAL Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Observe all federal, state, and local environmental regulations. 14 - Transport Information RID/ADR Non-hazardous for road transport. IMDG Non-hazardous for sea transport. IATA Non-hazardous for air transport. 15 - Regulatory Information Caution: Substance not yet fully tested (EU). COUNTRY SPECIFIC INFORMATION Germany WGK: 3 Self-Classification 16 - Other Information WARRANTY The above information is believed to be correct but does not SIGMAwww.molbase.com purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Inc., shall not be held liable for any damage resulting from handling or from contact with the above product. See reverse side of invoice or packing slip for additional terms and conditions of sale. Copyright 2010 Co. License granted to make unlimitedpaper copies for internal use only. DISCLAIMER For R&D use only. Not for drug, household or other uses. SIGMAwww.molbase.com SECTION 16 - ADDITIONAL INFORMATION N/A |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 0 | |
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| DownStream 1 | |
![1-[4-methoxy-5-(methoxymethyl)oxolan-2-yl]-3,5-dimethyl-pyrimidine-2,4-dione structure](https://image.chemsrc.com/caspic/096/65150-68-7.png)
CAS#:65150-68-7This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Differential affinity is the ratio between M-TK and C-TK
Source: ChEMBL
Target: N/A
External Id: CHEMBL846985
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Name: Affinity towards mitochondrial thymidine kinase relative to TdR.
Source: ChEMBL
Target: Thymidine kinase 2
External Id: CHEMBL734270
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| N3-methyl-thymidine |
| Thymidine,3-methyl |
| N-3-(Methyl)-Thd |
| Methylthymidine |
| 3-Methylthymidine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione? |
| A: Molecular formula of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione is C11H16N2O5. |
| Q: What is the CAS number of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione? |
| A: CAS number of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione is 958-74-7. |
| Q: What is the SMILES notation of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione? |
| A: SMILES notation of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione is Cc1cn(C2CC(O)C(CO)O2)c(=O)n(C)c1=O. |
| Q: What is the InChIKey of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione? |
| A: InChIKey of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione is JCVDICFLPGDHAT-DJLDLDEBSA-N. |
| Q: What are the downstream products of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione? |
| A: Related downstream products(CAS) of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione: 65150-68-7. |
| Q: What is the English name of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione? |
| A: The English name of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione is 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione. |
| Q: What are the storage conditions for 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione? |
| A: Storage conditions for 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione: -20°C. |
| Q: What is the polar surface area (PSA) of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione? |
| A: Polar surface area (PSA) of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione is 93.69000. |
| Q: What is the molecular weight of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione? |
| A: Molecular weight of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione is 256.25500. |
| Q: What is the boiling point of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione? |
| A: Boiling point of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione is 457.7ºC at 760 mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |