Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate
TL;DR: Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate (CAS 7234-33-5) is a chemical compound with molecular formula C9H12N2O2S and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-methylsulfanylpyrimidine-5-carboxylate
Also Known As: Emtmpc, Ethyl 4-methyl-2-(methylthio)pyrimidine-5-carboxylate, S-7HNa, Ethyl 4-Methyl-2-(methylthio)-5-pyrimidinecarboxylate, cyclopentylcyclopentane,iron
| Molecular Formula | C9H12N2O2S |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.06195 |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 7234-33-5 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1C)SC |
| InChIKey | LJDJKDAPYUXBPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate (CAS 7234-33-5), with molecular formula C9H12N2O2S and molecular weight 212.06 g/mol. IUPAC: ethyl 4-methyl-2-methylsulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate
Property Insights of Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate. Following Lipinski's Rule of Five, Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate has 0 hydrogen bond donor(s) and 5 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-2-methylthio-4-methyl-5-pyrimidine carboxylate?
The CAS number of Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate is 7234-33-5.
What is the molecular formula of Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate?
The molecular formula of Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate is C9H12N2O2S.
What is the molecular weight of Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate?
The molecular weight of Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate is 212.06 g/mol.
Where can I buy Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate?
You can request a quote for Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.