硫代乙酸糠酯
TL;DR: 硫代乙酸糠酯 (CAS 13678-68-7) is a chemical compound with molecular formula C7H8O2S and molecular weight 156.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代乙酸糠酯
S-(furan-2-ylmethyl) ethanethioate
Also Known As: Furfuryl thioacetate, S-Furfuryl thioacetate, Furfurylthiol acetate, S-Furfuryl ethanethioate, Furfurylthioacetat
| Molecular Formula | C7H8O2S |
|---|---|
| Molecular Weight | 156.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.0245 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
| Boiling Point | 90.00 to 92.00 °C. @ 12.00 mm Hg |
| Density | 1.149-1.155 (20°) |
| Solubility | Insoluble in water,soluble in organic solvents, fats |
| Refractive Index | 1.522-1.529 |
Chemical Identifiers
| CAS Number | 13678-68-7 |
|---|---|
| SMILES | CC(=O)SCC1=CC=CO1 |
| InChIKey | LQOUTUIIYXYBQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫代乙酸糠酯 (CAS 13678-68-7), with molecular formula C7H8O2S and molecular weight 156.02 g/mol. IUPAC: S-(furan-2-ylmethyl) ethanethioate.
Chemical Property Profile of 硫代乙酸糠酯
Property Insights of 硫代乙酸糠酯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫代乙酸糠酯. With a topological polar surface area (TPSA) of 55.5 Ų, 硫代乙酸糠酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫代乙酸糠酯 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 硫代乙酸糠酯?
The CAS number of 硫代乙酸糠酯 is 13678-68-7.
What is the molecular formula of 硫代乙酸糠酯?
The molecular formula of 硫代乙酸糠酯 is C7H8O2S.
What is the molecular weight of 硫代乙酸糠酯?
The molecular weight of 硫代乙酸糠酯 is 156.02 g/mol.
Where can I buy 硫代乙酸糠酯?
You can request a quote for 硫代乙酸糠酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代乙酸糠酯?
Yes, KEHONG BIO provides custom synthesis services for 硫代乙酸糠酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.