4,6-dimethyl-2H-pyran-2-thione
TL;DR: 4,6-dimethyl-2H-pyran-2-thione (CAS 54657-87-3) is a chemical compound with molecular formula C7H8OS and molecular weight 140.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethylpyran-2-thione
Also Known As: 4,6-dimethylpyran-2-thione, 4,6-dimethyl-2H-pyran-2-thione, 2H-Pyran-2-thione,4,6-dimethyl-(9CI), 2H-Pyran-2-thione, 4,6-dimethyl-, 2H-Pyran-2-thione, 4,6-dimethyl- (9CI)
| Molecular Formula | C7H8OS |
|---|---|
| Molecular Weight | 140.03 g/mol |
| LogP | 2.62593 |
| Topological Polar Surface Area | 13.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.02959 |
| Heavy Atoms | 9 |
| Complexity | 238.61382 |
Chemical Identifiers
| CAS Number | 54657-87-3 |
|---|---|
| SMILES | CC1=CC(=S)OC(=C1)C |
Product Overview
4,6-dimethyl-2H-pyran-2-thione (CAS 54657-87-3), with molecular formula C7H8OS and molecular weight 140.03 g/mol. IUPAC: 4,6-dimethylpyran-2-thione.
Chemical Property Profile of 4,6-dimethyl-2H-pyran-2-thione
Property Insights of 4,6-dimethyl-2H-pyran-2-thione
The XLogP value of 2.62593 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-dimethyl-2H-pyran-2-thione. With a topological polar surface area (TPSA) of 13.14 Ų, 4,6-dimethyl-2H-pyran-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-dimethyl-2H-pyran-2-thione has 0 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 4,6-dimethyl-2H-pyran-2-thione?
The CAS number of 4,6-dimethyl-2H-pyran-2-thione is 54657-87-3.
What is the molecular formula of 4,6-dimethyl-2H-pyran-2-thione?
The molecular formula of 4,6-dimethyl-2H-pyran-2-thione is C7H8OS.
What is the molecular weight of 4,6-dimethyl-2H-pyran-2-thione?
The molecular weight of 4,6-dimethyl-2H-pyran-2-thione is 140.03 g/mol.
Where can I buy 4,6-dimethyl-2H-pyran-2-thione?
You can request a quote for 4,6-dimethyl-2H-pyran-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-dimethyl-2H-pyran-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4,6-dimethyl-2H-pyran-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.