4H-thiopyran-4-one
TL;DR: 4H-thiopyran-4-one (CAS 1003-41-4) is a chemical compound with molecular formula C1=CSC=CC1=O and molecular weight 111.99828 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
thiopyran-4-one
Also Known As: Thiopyran-4-one, 4H-Thiopyran-4-one, 4-Thiapyrone, 4-Thiopyrone, 1,4-Thiapyrone
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C1=CSC=CC1=O |
| Molecular Weight | 111.99828 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.99828 Da |
| Heavy Atoms | 7 |
| Complexity | 121.0 |
| SMILES | C1=CSC=CC1=O |
| InChIKey | VNXUJPCYZSNXDG-UHFFFAOYSA-N |
Chemical Property Profile of 4H-thiopyran-4-one
Property Insights of 4H-thiopyran-4-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-thiopyran-4-one. With a topological polar surface area (TPSA) of 42.4 Ų, 4H-thiopyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-thiopyran-4-one 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
What is the CAS number of 4H-thiopyran-4-one?
The CAS number of 4H-thiopyran-4-one is 1003-41-4.
What is the molecular formula of 4H-thiopyran-4-one?
The molecular formula of 4H-thiopyran-4-one is C1=CSC=CC1=O.
What is the molecular weight of 4H-thiopyran-4-one?
The molecular weight of 4H-thiopyran-4-one is 111.99828 g/mol.
Where can I buy 4H-thiopyran-4-one?
You can request a quote for 4H-thiopyran-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4H-thiopyran-4-one?
Yes, CoreyChem provides custom synthesis services for 4H-thiopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.