O-(furan-2-ylmethyl) ethanethioate
TL;DR: O-(furan-2-ylmethyl) ethanethioate (CAS 125942-22-5) is a chemical compound with molecular formula C7H8O2S and molecular weight 156.0245 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
O-(furan-2-ylmethyl) ethanethioate
Also Known As: Furfuryl thioacetate, O-(furan-2-ylmethyl) ethanethioate, S-Furfuryl thioacetate, O-(2-furylmethyl) ethanethioate, 1-(2-furylmethoxy)ethane-1-thione
Technical Specifications
| Molecular Formula | C7H8O2S |
| Molecular Weight | 156.0245 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.0245 Da |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
| SMILES | CC(=S)OCC1=CC=CO1 |
| InChIKey | XWGVIQQEIQLYOK-UHFFFAOYSA-N |
Chemical Property Profile of O-(furan-2-ylmethyl) ethanethioate
Property Insights of O-(furan-2-ylmethyl) ethanethioate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-(furan-2-ylmethyl) ethanethioate. With a topological polar surface area (TPSA) of 54.5 Ų, O-(furan-2-ylmethyl) ethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(furan-2-ylmethyl) ethanethioate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of O-(furan-2-ylmethyl) ethanethioate?
The CAS number of O-(furan-2-ylmethyl) ethanethioate is 125942-22-5.
What is the molecular formula of O-(furan-2-ylmethyl) ethanethioate?
The molecular formula of O-(furan-2-ylmethyl) ethanethioate is C7H8O2S.
What is the molecular weight of O-(furan-2-ylmethyl) ethanethioate?
The molecular weight of O-(furan-2-ylmethyl) ethanethioate is 156.0245 g/mol.
Where can I buy O-(furan-2-ylmethyl) ethanethioate?
You can request a quote for O-(furan-2-ylmethyl) ethanethioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O-(furan-2-ylmethyl) ethanethioate?
Yes, CoreyChem provides custom synthesis services for O-(furan-2-ylmethyl) ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.