3-(Acetylthio)-2-methylfuran
TL;DR: 3-(Acetylthio)-2-methylfuran (CAS 55764-25-5) 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.
S-(2-methylfuran-3-yl) ethanethioate
Also Known As: 3-(Acetylthio)-2-methylfuran, 2-Methyl-3-furanthiol acetate, S-(2-methylfuran-3-yl) ethanethioate, 2-Methylfuran-3-thiol acetate, MFT Acetate
| Molecular Formula | C7H8O2S |
|---|---|
| Molecular Weight | 156.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.0245 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
| Boiling Point | 222.00 to 224.00 °C. @ 760.00 mm Hg |
| Density | 1.140-1.159 |
| Solubility | Insoluble in water,slightly soluble in heptane, soluble in tri-acetin |
| Refractive Index | 1.444-1.451 |
Chemical Identifiers
| CAS Number | 55764-25-5 |
|---|---|
| SMILES | CC1=C(C=CO1)SC(=O)C |
| InChIKey | PQFIBPDAGFGLBY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Acetylthio)-2-methylfuran (CAS 55764-25-5), with molecular formula C7H8O2S and molecular weight 156.02 g/mol. IUPAC: S-(2-methylfuran-3-yl) ethanethioate.
Chemical Property Profile of 3-(Acetylthio)-2-methylfuran
Property Insights of 3-(Acetylthio)-2-methylfuran
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Acetylthio)-2-methylfuran. With a topological polar surface area (TPSA) of 55.5 Ų, 3-(Acetylthio)-2-methylfuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Acetylthio)-2-methylfuran 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 3-(Acetylthio)-2-methylfuran?
The CAS number of 3-(Acetylthio)-2-methylfuran is 55764-25-5.
What is the molecular formula of 3-(Acetylthio)-2-methylfuran?
The molecular formula of 3-(Acetylthio)-2-methylfuran is C7H8O2S.
What is the molecular weight of 3-(Acetylthio)-2-methylfuran?
The molecular weight of 3-(Acetylthio)-2-methylfuran is 156.02 g/mol.
Where can I buy 3-(Acetylthio)-2-methylfuran?
You can request a quote for 3-(Acetylthio)-2-methylfuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Acetylthio)-2-methylfuran?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acetylthio)-2-methylfuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.