5-甲基-2-呋喃硫醇
TL;DR: 5-甲基-2-呋喃硫醇 (CAS 60965-60-8) 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.
5-甲基-2-呋喃硫醇
5-methylfuran-2-thiol
Also Known As: 2-Furanthiol, 5-methyl-, 5-methylfuran-2-thiol, 2-Furanthiol,5-methyl-, 2-methylfuran-5-thiol, 5-methyl-2-furanthiol
| Molecular Formula | C5H6OS |
|---|---|
| Molecular Weight | 114.01 g/mol |
| LogP | 1.4 |
| 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 |
Chemical Identifiers
| CAS Number | 60965-60-8 |
|---|---|
| SMILES | CC1=CC=C(O1)S |
| InChIKey | VFXYLFXZARNARN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-甲基-2-呋喃硫醇 (CAS 60965-60-8), with molecular formula C5H6OS and molecular weight 114.01 g/mol. IUPAC: 5-methylfuran-2-thiol.
Chemical Property Profile of 5-甲基-2-呋喃硫醇
Property Insights of 5-甲基-2-呋喃硫醇
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-甲基-2-呋喃硫醇. With a topological polar surface area (TPSA) of 14.1 Ų, 5-甲基-2-呋喃硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-甲基-2-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 5-甲基-2-呋喃硫醇?
The CAS number of 5-甲基-2-呋喃硫醇 is 60965-60-8.
What is the molecular formula of 5-甲基-2-呋喃硫醇?
The molecular formula of 5-甲基-2-呋喃硫醇 is C5H6OS.
What is the molecular weight of 5-甲基-2-呋喃硫醇?
The molecular weight of 5-甲基-2-呋喃硫醇 is 114.01 g/mol.
Where can I buy 5-甲基-2-呋喃硫醇?
You can request a quote for 5-甲基-2-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 5-甲基-2-呋喃硫醇?
Yes, KEHONG BIO provides custom synthesis services for 5-甲基-2-呋喃硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.