2,5-二甲基-3-呋喃硫醇
TL;DR: 2,5-二甲基-3-呋喃硫醇 (CAS 55764-23-3) is a chemical compound with molecular formula C6H8OS and molecular weight 128.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-二甲基-3-呋喃硫醇
2,5-dimethylfuran-3-thiol
Also Known As: 2,5-Dimethylfuran-3-thiol, 2,5-Dimethyl-3-furanthiol, 3-Mercapto-2,5-dimethylfuran, 2,5-Dimethyl-3-mercaptofuran, FEMA No. 3451
| Molecular Formula | C6H8OS |
|---|---|
| Molecular Weight | 128.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 14.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.02959 |
| Heavy Atoms | 8 |
| Complexity | 84.0 |
| Boiling Point | 175.00 to 177.00 °C. @ 760.00 mm Hg |
| Density | 1.138-1.144 |
| Solubility | Insoluble in water,soluble in organic solvents,oils |
| Refractive Index | 1.500-1.520 |
Chemical Identifiers
| CAS Number | 55764-23-3 |
|---|---|
| SMILES | CC1=CC(=C(O1)C)S |
| InChIKey | DBBHCZMXKBCICL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-二甲基-3-呋喃硫醇 (CAS 55764-23-3), with molecular formula C6H8OS and molecular weight 128.03 g/mol. IUPAC: 2,5-dimethylfuran-3-thiol.
Chemical Property Profile of 2,5-二甲基-3-呋喃硫醇
Property Insights of 2,5-二甲基-3-呋喃硫醇
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-二甲基-3-呋喃硫醇. With a topological polar surface area (TPSA) of 14.1 Ų, 2,5-二甲基-3-呋喃硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-二甲基-3-呋喃硫醇 has 1 hydrogen bond donor(s) and 2 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 2,5-二甲基-3-呋喃硫醇?
The CAS number of 2,5-二甲基-3-呋喃硫醇 is 55764-23-3.
What is the molecular formula of 2,5-二甲基-3-呋喃硫醇?
The molecular formula of 2,5-二甲基-3-呋喃硫醇 is C6H8OS.
What is the molecular weight of 2,5-二甲基-3-呋喃硫醇?
The molecular weight of 2,5-二甲基-3-呋喃硫醇 is 128.03 g/mol.
Where can I buy 2,5-二甲基-3-呋喃硫醇?
You can request a quote for 2,5-二甲基-3-呋喃硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-二甲基-3-呋喃硫醇?
Yes, KEHONG BIO provides custom synthesis services for 2,5-二甲基-3-呋喃硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.