2-Ethyl-3-hydroxy-4H-pyran-4-thione
TL;DR: 2-Ethyl-3-hydroxy-4H-pyran-4-thione (CAS 84642-58-0) 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.
2-ethyl-3-hydroxypyran-4-thione
Also Known As: 2-Ethyl-3-hydroxy-4H-pyran-4-thione, EINECS 283-435-0, 2-Ethyl-3-hydroxy-4-pyranthione, 2-ethyl-3-hydroxypyran-4-thione, 4H-Pyran-4-thione, 2-ethyl-3-hydroxy-
| Molecular Formula | C7H8O2S |
|---|---|
| Molecular Weight | 156.02 g/mol |
| LogP | 2.27709 |
| Topological Polar Surface Area | 33.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.0245 |
| Heavy Atoms | 10 |
| Complexity | 277.17975 |
Chemical Identifiers
| CAS Number | 84642-58-0 |
|---|---|
| SMILES | CCC1=C(C(=S)C=CO1)O |
Product Overview
2-Ethyl-3-hydroxy-4H-pyran-4-thione (CAS 84642-58-0), with molecular formula C7H8O2S and molecular weight 156.02 g/mol. IUPAC: 2-ethyl-3-hydroxypyran-4-thione.
Chemical Property Profile of 2-Ethyl-3-hydroxy-4H-pyran-4-thione
Property Insights of 2-Ethyl-3-hydroxy-4H-pyran-4-thione
The XLogP value of 2.27709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-3-hydroxy-4H-pyran-4-thione. With a topological polar surface area (TPSA) of 33.37 Ų, 2-Ethyl-3-hydroxy-4H-pyran-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-3-hydroxy-4H-pyran-4-thione has 1 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 2-Ethyl-3-hydroxy-4H-pyran-4-thione?
The CAS number of 2-Ethyl-3-hydroxy-4H-pyran-4-thione is 84642-58-0.
What is the molecular formula of 2-Ethyl-3-hydroxy-4H-pyran-4-thione?
The molecular formula of 2-Ethyl-3-hydroxy-4H-pyran-4-thione is C7H8O2S.
What is the molecular weight of 2-Ethyl-3-hydroxy-4H-pyran-4-thione?
The molecular weight of 2-Ethyl-3-hydroxy-4H-pyran-4-thione is 156.02 g/mol.
Where can I buy 2-Ethyl-3-hydroxy-4H-pyran-4-thione?
You can request a quote for 2-Ethyl-3-hydroxy-4H-pyran-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-3-hydroxy-4H-pyran-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-3-hydroxy-4H-pyran-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.