Methyl 2-thiofuroate
TL;DR: Methyl 2-thiofuroate (CAS 13679-61-3) is a chemical compound with molecular formula C6H6O2S and molecular weight 142.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl furan-2-carbothioate
Also Known As: Methyl 2-thiofuroate, Methyl thiofuroate, S-methyl furan-2-carbothioate, Methylthiol furoate, S-Methyl thiofuroate
| Molecular Formula | C6H6O2S |
|---|---|
| Molecular Weight | 142.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.00885 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
| Boiling Point | 63.00 °C. @ 2.00 mm Hg |
| Density | 1.230-1.241 |
| Solubility | Insoluble in water,soluble in organic solvents |
| Refractive Index | 1.567-1.573 |
Chemical Identifiers
| CAS Number | 13679-61-3 |
|---|---|
| SMILES | CSC(=O)C1=CC=CO1 |
| InChIKey | ISKUAGFDTRLBHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-thiofuroate (CAS 13679-61-3), with molecular formula C6H6O2S and molecular weight 142.01 g/mol. IUPAC: S-methyl furan-2-carbothioate.
Chemical Property Profile of Methyl 2-thiofuroate
Property Insights of Methyl 2-thiofuroate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-thiofuroate. With a topological polar surface area (TPSA) of 55.5 Ų, Methyl 2-thiofuroate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-thiofuroate 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
Frequently Asked Questions
What is the CAS number of Methyl 2-thiofuroate?
The CAS number of Methyl 2-thiofuroate is 13679-61-3.
What is the molecular formula of Methyl 2-thiofuroate?
The molecular formula of Methyl 2-thiofuroate is C6H6O2S.
What is the molecular weight of Methyl 2-thiofuroate?
The molecular weight of Methyl 2-thiofuroate is 142.01 g/mol.
Where can I buy Methyl 2-thiofuroate?
You can request a quote for Methyl 2-thiofuroate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-thiofuroate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-thiofuroate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.