2-(2-呋喃硫基)乙酸甲酯
TL;DR: 2-(2-呋喃硫基)乙酸甲酯 (CAS 16003-16-0) is a chemical compound with molecular formula C7H8O3S and molecular weight 172.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-呋喃硫基)乙酸甲酯
methyl 2-(furan-2-ylsulfanyl)acetate
Also Known As: Methyl (2-furylthio)acetate, Methyl 2-(furylthio)acetate, methyl 2-(furan-2-ylsulfanyl)acetate, Acetic acid, (2-furanylthio)-, methyl ester, Acetic acid, 2-(2-furanylthio)-, methyl ester
| Molecular Formula | C7H8O3S |
|---|---|
| Molecular Weight | 172.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.01941 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 16003-16-0 |
|---|---|
| SMILES | COC(=O)CSC1=CC=CO1 |
| InChIKey | PZXUQUVMTNDLBH-UHFFFAOYSA-N |
Product Overview
2-(2-呋喃硫基)乙酸甲酯 (CAS 16003-16-0), with molecular formula C7H8O3S and molecular weight 172.02 g/mol. IUPAC: methyl 2-(furan-2-ylsulfanyl)acetate.
Chemical Property Profile of 2-(2-呋喃硫基)乙酸甲酯
Property Insights of 2-(2-呋喃硫基)乙酸甲酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-呋喃硫基)乙酸甲酯. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-呋喃硫基)乙酸甲酯. Following Lipinski's Rule of Five, 2-(2-呋喃硫基)乙酸甲酯 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
Frequently Asked Questions
What is the CAS number of 2-(2-呋喃硫基)乙酸甲酯?
The CAS number of 2-(2-呋喃硫基)乙酸甲酯 is 16003-16-0.
What is the molecular formula of 2-(2-呋喃硫基)乙酸甲酯?
The molecular formula of 2-(2-呋喃硫基)乙酸甲酯 is C7H8O3S.
What is the molecular weight of 2-(2-呋喃硫基)乙酸甲酯?
The molecular weight of 2-(2-呋喃硫基)乙酸甲酯 is 172.02 g/mol.
Where can I buy 2-(2-呋喃硫基)乙酸甲酯?
You can request a quote for 2-(2-呋喃硫基)乙酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-呋喃硫基)乙酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-呋喃硫基)乙酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.