Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate
TL;DR: Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate (CAS 38026-46-9) is a chemical compound with molecular formula C7H8N2O3S and molecular weight 200.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate
Also Known As: 5-Carbethoxy-2-thiouracil, Ethyl 2-thiouracil-5-carboxylate, 2-Mercapto-5-carbethoxyuracil, 5-Ethoxycarbonyl-2-thiouracil, Uracil, 5-carbethoxy-2-thio-
| Molecular Formula | C7H8N2O3S |
|---|---|
| Molecular Weight | 200.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.02556 |
| Heavy Atoms | 13 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 38026-46-9 |
|---|---|
| SMILES | CCOC(=O)C1=CNC(=S)NC1=O |
| InChIKey | FQFSHLBWRUOCPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate (CAS 38026-46-9), with molecular formula C7H8N2O3S and molecular weight 200.03 g/mol. IUPAC: ethyl 4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate
Property Insights of Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate?
The CAS number of Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate is 38026-46-9.
What is the molecular formula of Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate is C7H8N2O3S.
What is the molecular weight of Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate is 200.03 g/mol.
Where can I buy Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.