四氢噻喃-4-酮
TL;DR: 四氢噻喃-4-酮 (CAS 1072-72-6) is a chemical compound with molecular formula C5H8OS and molecular weight 116.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
四氢噻喃-4-酮
thian-4-one
Also Known As: Tetrahydrothiopyran-4-one, thian-4-one, Penthianone, 4-Oxothiane, Tetrahydro-4H-thiopyran-4-one
| Molecular Formula | C5H8OS |
|---|---|
| Molecular Weight | 116.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.02959 |
| Heavy Atoms | 7 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 1072-72-6 |
|---|---|
| SMILES | C1CSCCC1=O |
| InChIKey | OVRJVKCZJCNSOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
四氢噻喃-4-酮 (CAS 1072-72-6), with molecular formula C5H8OS and molecular weight 116.03 g/mol. IUPAC: thian-4-one.
Chemical Property Profile of 四氢噻喃-4-酮
Property Insights of 四氢噻喃-4-酮
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 四氢噻喃-4-酮. With a topological polar surface area (TPSA) of 42.4 Ų, 四氢噻喃-4-酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 四氢噻喃-4-酮 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 四氢噻喃-4-酮?
The CAS number of 四氢噻喃-4-酮 is 1072-72-6.
What is the molecular formula of 四氢噻喃-4-酮?
The molecular formula of 四氢噻喃-4-酮 is C5H8OS.
What is the molecular weight of 四氢噻喃-4-酮?
The molecular weight of 四氢噻喃-4-酮 is 116.03 g/mol.
Where can I buy 四氢噻喃-4-酮?
You can request a quote for 四氢噻喃-4-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四氢噻喃-4-酮?
Yes, KEHONG BIO provides custom synthesis services for 四氢噻喃-4-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.