Ethyl 2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate
Impurity reference standard
- CAS number
- 53554-29-3
- InChIKey
- HDIWKNXVBQPJCO-UHFFFAOYSA-N
- Molecular formula
- C8H10N2O3S
- Molecular weight
- 214.24
- Exact mass
- 214.0412 Da
- Purity
- 95%+
- Appearance
- White Powder
- Storage
- 2℃ ~ 8℃
About Ethyl 2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate
Ethyl 2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate is supplied as an analytical reference standard. It is registered under CAS number 53554-29-3.
The compound is characterised by its molecular formula C8H10N2O3S and a molecular weight of 214.24, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 214.0412 Da, a calculated LogP of 0.67, a topological polar surface area of 72.05 Ų. It presents 1 hydrogen-bond donor and 5 acceptors. These values are commonly used to anticipate chromatographic retention and to plan ionisation conditions during method development.
Each pack ships with a certificate of analysis reporting purity of 95%+ together with the supporting analytical data — HNMR, MS and HPLC or GC traces — so the material can be released straight into your own QC workflow. Recommended storage: 2℃ ~ 8℃.
Available from stock in milligram to gram quantities; larger or custom synthesis requirements are quoted on request.
Calculated properties
Derived from the two-dimensional structure above using RDKit. Computed values describe the parent structure and are provided as a reference for method development — they are not measured data.
- LogP (Crippen)
- 0.67
- Topological polar surface area
- 72.05 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Rings
- 1
- Elemental composition
- C 44.85% · H 4.70% · N 13.08% · O 22.40% · S 14.97%
Frequently asked questions
What purity does Ethyl 2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate ship at?
Ethyl 2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does Ethyl 2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate come with a certificate of analysis?
Yes. Every pack ships with a certificate of analysis plus the supporting analytical data — HNMR, MS and HPLC or GC traces.
How is Ethyl 2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate uniquely identified?
The InChIKey HDIWKNXVBQPJCO-UHFFFAOYSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for Ethyl 2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate?
Yes. The two-dimensional structure is drawn on this page from the SMILES record, and the SMILES or a molfile can be supplied on request.
What pack sizes are available for Ethyl 2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should Ethyl 2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate be stored?
Recommended storage: 2℃ ~ 8℃.
Need this standard, or a related one?
Send the compound name, CAS number or a structure file — we confirm availability, pack size and lead time, usually within one business day.