![2-(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile structure](/static/products/6863/686333-94-8.webp)
2-(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile
TL;DR: 2-(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile (CAS 686333-94-8) is a chemical compound with molecular formula C10H9N3OS and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetonitrile
Also Known As: 2-(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile, 2-{6-ethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetonitrile, (6-ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile, 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetonitrile, Thieno[2,3-d]pyrimidine-3(4H)-acetonitrile, 6-ethyl-4-oxo- (9CI)
| Molecular Formula | C10H9N3OS |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.54398 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.04663 |
| Heavy Atoms | 15 |
| Complexity | 590.7138 |
Chemical Identifiers
| CAS Number | 686333-94-8 |
|---|---|
| SMILES | CCC1=CC2=C(S1)N=CN(C2=O)CC#N |
Product Overview
2-(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile (CAS 686333-94-8), with molecular formula C10H9N3OS and molecular weight 219.05 g/mol. IUPAC: 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetonitrile.
Chemical Property Profile of 2-(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile
Property Insights of 2-(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile
The XLogP value of 1.54398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile. With a topological polar surface area (TPSA) of 58.68 Ų, 2-(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile has 0 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 2-(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile?
The CAS number of 2-(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile is 686333-94-8.
What is the molecular formula of 2-(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile?
The molecular formula of 2-(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile is C10H9N3OS.
What is the molecular weight of 2-(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile?
The molecular weight of 2-(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile is 219.05 g/mol.
Where can I buy 2-(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile?
You can request a quote for 2-(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.