Ethyl (2-pyrimidinylthio)acetate
TL;DR: Ethyl (2-pyrimidinylthio)acetate (CAS 60458-72-2) is a chemical compound with molecular formula C8H10N2O2S and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-pyrimidin-2-ylsulfanylacetate
Also Known As: ethyl (2-pyrimidinylthio)acetate, ethyl 2-pyrimidin-2-ylthioacetate, Ethyl 2-pyrimidin-2-ylsulfanylacetate, ethyl 2-(pyrimidin-2-ylthio)acetate, ethyl (pyrimidin-2-ylsulfanyl)acetate
| Molecular Formula | C8H10N2O2S |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 1.1318 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.0463 |
| Heavy Atoms | 13 |
| Complexity | 266.10635 |
Chemical Identifiers
| CAS Number | 60458-72-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC=CC=N1 |
Product Overview
Ethyl (2-pyrimidinylthio)acetate (CAS 60458-72-2), with molecular formula C8H10N2O2S and molecular weight 198.05 g/mol. IUPAC: ethyl 2-pyrimidin-2-ylsulfanylacetate.
Chemical Property Profile of Ethyl (2-pyrimidinylthio)acetate
Property Insights of Ethyl (2-pyrimidinylthio)acetate
The XLogP value of 1.1318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2-pyrimidinylthio)acetate. With a topological polar surface area (TPSA) of 52.08 Ų, Ethyl (2-pyrimidinylthio)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2-pyrimidinylthio)acetate 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-pyrimidinylthio)acetate?
The CAS number of Ethyl (2-pyrimidinylthio)acetate is 60458-72-2.
What is the molecular formula of Ethyl (2-pyrimidinylthio)acetate?
The molecular formula of Ethyl (2-pyrimidinylthio)acetate is C8H10N2O2S.
What is the molecular weight of Ethyl (2-pyrimidinylthio)acetate?
The molecular weight of Ethyl (2-pyrimidinylthio)acetate is 198.05 g/mol.
Where can I buy Ethyl (2-pyrimidinylthio)acetate?
You can request a quote for Ethyl (2-pyrimidinylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2-pyrimidinylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2-pyrimidinylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.