Methyl (2-furfurylthio)acetate
TL;DR: Methyl (2-furfurylthio)acetate (CAS 108499-33-8) is a chemical compound with molecular formula C8H10O3S and molecular weight 186.03506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(furan-2-ylmethylsulfanyl)acetate
Also Known As: Methyl (2-furfurylthio)acetate, methyl 2-(furan-2-ylmethylsulfanyl)acetate, Methyl 2-((furan-2-ylmethyl)thio)acetate, Methyl 2-(furfurylthio)acetate, methyl-2-(furfurylthio)acetate
Technical Specifications
| Molecular Formula | C8H10O3S |
| Molecular Weight | 186.03506 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 64.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 186.03506 Da |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
| SMILES | COC(=O)CSCC1=CC=CO1 |
| InChIKey | XPVNCXPHDABNLE-UHFFFAOYSA-N |
Chemical Property Profile of Methyl (2-furfurylthio)acetate
Property Insights of Methyl (2-furfurylthio)acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2-furfurylthio)acetate. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (2-furfurylthio)acetate. Following Lipinski's Rule of Five, Methyl (2-furfurylthio)acetate 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
What is the CAS number of Methyl (2-furfurylthio)acetate?
The CAS number of Methyl (2-furfurylthio)acetate is 108499-33-8.
What is the molecular formula of Methyl (2-furfurylthio)acetate?
The molecular formula of Methyl (2-furfurylthio)acetate is C8H10O3S.
What is the molecular weight of Methyl (2-furfurylthio)acetate?
The molecular weight of Methyl (2-furfurylthio)acetate is 186.03506 g/mol.
Where can I buy Methyl (2-furfurylthio)acetate?
You can request a quote for Methyl (2-furfurylthio)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl (2-furfurylthio)acetate?
Yes, CoreyChem provides custom synthesis services for Methyl (2-furfurylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.