2H-pyran-2-thione
TL;DR: 2H-pyran-2-thione (CAS 23639-33-0) is a chemical compound with molecular formula C5H4OS and molecular weight 112.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyran-2-thione
Also Known As: 2H-pyran-2-thione, pyran-2-thione, J2.207.555A, InChI=1/C5H4OS/c7-5-3-1-2-4-6-5/h1-4
| Molecular Formula | C5H4OS |
|---|---|
| Molecular Weight | 112.00 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.99828 |
| Heavy Atoms | 7 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 23639-33-0 |
|---|---|
| SMILES | C1=CC(=S)OC=C1 |
| InChIKey | SCXKWEIRWVHPIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-pyran-2-thione (CAS 23639-33-0), with molecular formula C5H4OS and molecular weight 112.00 g/mol. IUPAC: pyran-2-thione.
Chemical Property Profile of 2H-pyran-2-thione
Property Insights of 2H-pyran-2-thione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-pyran-2-thione. With a topological polar surface area (TPSA) of 41.3 Ų, 2H-pyran-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 2H-pyran-2-thione?
The CAS number of 2H-pyran-2-thione is 23639-33-0.
What is the molecular formula of 2H-pyran-2-thione?
The molecular formula of 2H-pyran-2-thione is C5H4OS.
What is the molecular weight of 2H-pyran-2-thione?
The molecular weight of 2H-pyran-2-thione is 112.00 g/mol.
Where can I buy 2H-pyran-2-thione?
You can request a quote for 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 2H-pyran-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 2H-pyran-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.