3-hydroxy-2-methyl-4H-pyran-4-thione
TL;DR: 3-hydroxy-2-methyl-4H-pyran-4-thione (CAS 23060-85-7) is a chemical compound with molecular formula C6H6O2S and molecular weight 142.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-methylpyran-4-thione
Also Known As: thiomaltol, 3-hydroxy-2-methyl-4H-pyran-4-thione, 3-hydroxy-2-methylpyran-4-thione, 2-methyl-4-thioxopyran-3-ol, 3-hydroxy-2-methyl-4-thiopyrone
| Molecular Formula | C6H6O2S |
|---|---|
| Molecular Weight | 142.01 g/mol |
| LogP | 2.02311 |
| Topological Polar Surface Area | 33.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.00885 |
| Heavy Atoms | 9 |
| Complexity | 264.00552 |
Chemical Identifiers
| CAS Number | 23060-85-7 |
|---|---|
| SMILES | CC1=C(C(=S)C=CO1)O |
Product Overview
3-hydroxy-2-methyl-4H-pyran-4-thione (CAS 23060-85-7), with molecular formula C6H6O2S and molecular weight 142.01 g/mol. IUPAC: 3-hydroxy-2-methylpyran-4-thione.
Chemical Property Profile of 3-hydroxy-2-methyl-4H-pyran-4-thione
Property Insights of 3-hydroxy-2-methyl-4H-pyran-4-thione
The XLogP value of 2.02311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-hydroxy-2-methyl-4H-pyran-4-thione. With a topological polar surface area (TPSA) of 33.37 Ų, 3-hydroxy-2-methyl-4H-pyran-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-hydroxy-2-methyl-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 3-hydroxy-2-methyl-4H-pyran-4-thione?
The CAS number of 3-hydroxy-2-methyl-4H-pyran-4-thione is 23060-85-7.
What is the molecular formula of 3-hydroxy-2-methyl-4H-pyran-4-thione?
The molecular formula of 3-hydroxy-2-methyl-4H-pyran-4-thione is C6H6O2S.
What is the molecular weight of 3-hydroxy-2-methyl-4H-pyran-4-thione?
The molecular weight of 3-hydroxy-2-methyl-4H-pyran-4-thione is 142.01 g/mol.
Where can I buy 3-hydroxy-2-methyl-4H-pyran-4-thione?
You can request a quote for 3-hydroxy-2-methyl-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 3-hydroxy-2-methyl-4H-pyran-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-2-methyl-4H-pyran-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.