Ethyl 6-methyl-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: Ethyl 6-methyl-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 13996-05-9) is a chemical compound with molecular formula C8H10N2O3S and molecular weight 214.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxylate
Also Known As: 6-Methyl-2-oxo-4-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester, ethyl 6-methyl-2-oxo-4-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxylate, Ethyl 2-hydroxy-4-mercapto-6-methylpyrimidine-5-carboxylate, ethyl 6-methyl-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C8H10N2O3S |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | 0.91761 |
| Topological Polar Surface Area | 74.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.04121 |
| Heavy Atoms | 14 |
| Complexity | 460.3896 |
Chemical Identifiers
| CAS Number | 13996-05-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1=S)C |
Product Overview
Ethyl 6-methyl-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 13996-05-9), with molecular formula C8H10N2O3S and molecular weight 214.04 g/mol. IUPAC: ethyl 6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 6-methyl-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of Ethyl 6-methyl-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 0.91761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-methyl-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate. The TPSA of 74.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-methyl-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-methyl-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate 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 6-methyl-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of Ethyl 6-methyl-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 13996-05-9.
What is the molecular formula of Ethyl 6-methyl-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of Ethyl 6-methyl-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C8H10N2O3S.
What is the molecular weight of Ethyl 6-methyl-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of Ethyl 6-methyl-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 214.04 g/mol.
Where can I buy Ethyl 6-methyl-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for Ethyl 6-methyl-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-methyl-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-methyl-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.