2-呋喃甲硫醇
TL;DR: 2-呋喃甲硫醇 (CAS 98-02-2) 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-呋喃甲硫醇
furan-2-ylmethanethiol
Also Known As: Furfuryl mercaptan, 2-Furylmethanethiol, 2-FURANMETHANETHIOL, Furfuryl thiol, 2-Furfurylthiol
| Molecular Formula | C5H6OS |
|---|---|
| Molecular Weight | 114.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 14.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 114.01394 |
| Heavy Atoms | 7 |
| Complexity | 56.0 |
| Melting Point | 113.00 to 115.00 °C. @ 760.00 mm Hg |
| Boiling Point | 263.00 to 265.00 °C. @ 17.00 mm Hg |
| Density | 1.125-1.135 (20°) |
| Solubility | 5000 mg/L @ 20 °C (exp) |
| Refractive Index | 1.527-1.542 |
Chemical Identifiers
| CAS Number | 98-02-2 |
|---|---|
| SMILES | C1=COC(=C1)CS |
| InChIKey | ZFFTZDQKIXPDAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-呋喃甲硫醇 (CAS 98-02-2), with molecular formula C5H6OS and molecular weight 114.01 g/mol. IUPAC: furan-2-ylmethanethiol.
Chemical Property Profile of 2-呋喃甲硫醇
Property Insights of 2-呋喃甲硫醇
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-呋喃甲硫醇. With a topological polar surface area (TPSA) of 14.1 Ų, 2-呋喃甲硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-呋喃甲硫醇 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-呋喃甲硫醇?
The CAS number of 2-呋喃甲硫醇 is 98-02-2.
What is the molecular formula of 2-呋喃甲硫醇?
The molecular formula of 2-呋喃甲硫醇 is C5H6OS.
What is the molecular weight of 2-呋喃甲硫醇?
The molecular weight of 2-呋喃甲硫醇 is 114.01 g/mol.
Where can I buy 2-呋喃甲硫醇?
You can request a quote for 2-呋喃甲硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-呋喃甲硫醇?
Yes, KEHONG BIO provides custom synthesis services for 2-呋喃甲硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.