2H-Thiopyran-3(4H)-one
TL;DR: 2H-Thiopyran-3(4H)-one (CAS 29431-28-5) is a chemical compound with molecular formula C5H6OS and molecular weight 114.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4H-thiopyran-3-one
Also Known As: 2H-Thiopyran-3(4H)-one, thiopyran-3(2H)-one, 4H-thiopyran-3-one, thiopyran-3-one, 2H-Thiopyran-3 -one
| Molecular Formula | C5H6OS |
|---|---|
| Molecular Weight | 114.01 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.01394 |
| Heavy Atoms | 7 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 29431-28-5 |
|---|---|
| SMILES | C1C=CSCC1=O |
| InChIKey | AEDFDYYPESUHNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-Thiopyran-3(4H)-one (CAS 29431-28-5), with molecular formula C5H6OS and molecular weight 114.01 g/mol. IUPAC: 4H-thiopyran-3-one.
Chemical Property Profile of 2H-Thiopyran-3(4H)-one
Property Insights of 2H-Thiopyran-3(4H)-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Thiopyran-3(4H)-one. With a topological polar surface area (TPSA) of 42.4 Ų, 2H-Thiopyran-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Thiopyran-3(4H)-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
Frequently Asked Questions
What is the CAS number of 2H-Thiopyran-3(4H)-one?
The CAS number of 2H-Thiopyran-3(4H)-one is 29431-28-5.
What is the molecular formula of 2H-Thiopyran-3(4H)-one?
The molecular formula of 2H-Thiopyran-3(4H)-one is C5H6OS.
What is the molecular weight of 2H-Thiopyran-3(4H)-one?
The molecular weight of 2H-Thiopyran-3(4H)-one is 114.01 g/mol.
Where can I buy 2H-Thiopyran-3(4H)-one?
You can request a quote for 2H-Thiopyran-3(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Thiopyran-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2H-Thiopyran-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.