ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate
TL;DR: ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate (CAS 7506-89-0) 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 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate
Also Known As: J1.413.255D, ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate, F1967-0959, ethyl 2-mercapto-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate, ethyl 3-methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C8H10N2O3S |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | 0.61959 |
| Topological Polar Surface Area | 64.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.04121 |
| Heavy Atoms | 14 |
| Complexity | 460.3896 |
Chemical Identifiers
| CAS Number | 7506-89-0 |
|---|---|
| SMILES | CCOC(=O)C1=CNC(=S)N(C1=O)C |
Product Overview
ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate (CAS 7506-89-0), with molecular formula C8H10N2O3S and molecular weight 214.04 g/mol. IUPAC: ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate
Property Insights of ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate
The XLogP value of 0.61959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate. The TPSA of 64.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate has 1 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 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate?
The CAS number of ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate is 7506-89-0.
What is the molecular formula of ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate?
The molecular formula of ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate is C8H10N2O3S.
What is the molecular weight of ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate?
The molecular weight of ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate is 214.04 g/mol.
Where can I buy ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate?
You can request a quote for ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-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 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.