2-甲基-3-呋喃硫醇
TL;DR: 2-甲基-3-呋喃硫醇 (CAS 28588-74-1) is a chemical compound with molecular formula C5H6OS and molecular weight 114.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基-3-呋喃硫醇
2-methylfuran-3-thiol
Also Known As: 2-Methyl-3-furanthiol, 2-Methylfuran-3-thiol, 3-FURANTHIOL, 2-METHYL-, 2-Methyl-3-mercaptofuran, 2-methyl-3-furanethiol
| Molecular Formula | C5H6OS |
|---|---|
| Molecular Weight | 114.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 14.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.01394 |
| Heavy Atoms | 7 |
| Complexity | 65.0 |
| Boiling Point | 57.00 to 60.00 °C. @ 44.00 mm Hg |
| Density | 1.141-1.150 |
| Solubility | Insoluble in water,soluble in organic solvents,oils |
| Refractive Index | 1.509-1.530 |
Chemical Identifiers
| CAS Number | 28588-74-1 |
|---|---|
| SMILES | CC1=C(C=CO1)S |
| InChIKey | RUYNUXHHUVUINQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-3-呋喃硫醇 (CAS 28588-74-1), with molecular formula C5H6OS and molecular weight 114.01 g/mol. IUPAC: 2-methylfuran-3-thiol.
Chemical Property Profile of 2-甲基-3-呋喃硫醇
Property Insights of 2-甲基-3-呋喃硫醇
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基-3-呋喃硫醇. With a topological polar surface area (TPSA) of 14.1 Ų, 2-甲基-3-呋喃硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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-甲基-3-呋喃硫醇?
The CAS number of 2-甲基-3-呋喃硫醇 is 28588-74-1.
What is the molecular formula of 2-甲基-3-呋喃硫醇?
The molecular formula of 2-甲基-3-呋喃硫醇 is C5H6OS.
What is the molecular weight of 2-甲基-3-呋喃硫醇?
The molecular weight of 2-甲基-3-呋喃硫醇 is 114.01 g/mol.
Where can I buy 2-甲基-3-呋喃硫醇?
You can request a quote for 2-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-甲基-3-呋喃硫醇?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-3-呋喃硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.