![Methyl [(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetate structure](/static/products/4576/457640-91-4.webp)
Methyl [(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetate
TL;DR: Methyl [(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetate (CAS 457640-91-4) is a chemical compound with molecular formula C11H12N2O2S2 and molecular weight 268.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
Also Known As: methyl [(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetate, Methyl 2-((5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio)acetate, methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate, methyl 2-(5,6-dimethylthiopheno[3,2-e]pyrimidin-4-ylthio)acetate
| Molecular Formula | C11H12N2O2S2 |
|---|---|
| Molecular Weight | 268.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.03403 |
| Heavy Atoms | 17 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 457640-91-4 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=NC=N2)SCC(=O)OC)C |
| InChIKey | CLEWZMBGKWSZLI-UHFFFAOYSA-N |
Product Overview
Methyl [(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetate (CAS 457640-91-4), with molecular formula C11H12N2O2S2 and molecular weight 268.03 g/mol. IUPAC: methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate.
Chemical Property Profile of Methyl [(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetate
Property Insights of Methyl [(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetate
The XLogP value of 3.1 indicates that Methyl [(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetate. Following Lipinski's Rule of Five, Methyl [(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetate has 0 hydrogen bond donor(s) and 6 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 Methyl [(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetate?
The CAS number of Methyl [(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetate is 457640-91-4.
What is the molecular formula of Methyl [(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetate?
The molecular formula of Methyl [(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetate is C11H12N2O2S2.
What is the molecular weight of Methyl [(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetate?
The molecular weight of Methyl [(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetate is 268.03 g/mol.
Where can I buy Methyl [(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetate?
You can request a quote for Methyl [(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.