5-Methylthiolan-3-one
TL;DR: 5-Methylthiolan-3-one (CAS 50565-24-7) 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.
5-methylthiolan-3-one
Also Known As: 5-methylthiolan-3-one, 5-methyldihydrothiophen-3(2H)-one, 3(2H)-Thiophenone, dihydro-5-methyl-, 2-Methyl-4-oxotetrahydrothiophen, 5-methyltetrahydrothiophen-3-one
| Molecular Formula | C5H8OS |
|---|---|
| Molecular Weight | 116.03 g/mol |
| LogP | 0.9 |
| 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 | 90.0 |
Chemical Identifiers
| CAS Number | 50565-24-7 |
|---|---|
| SMILES | CC1CC(=O)CS1 |
| InChIKey | GYAWKNURSWKRNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methylthiolan-3-one (CAS 50565-24-7), with molecular formula C5H8OS and molecular weight 116.03 g/mol. IUPAC: 5-methylthiolan-3-one.
Chemical Property Profile of 5-Methylthiolan-3-one
Property Insights of 5-Methylthiolan-3-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylthiolan-3-one. With a topological polar surface area (TPSA) of 42.4 Ų, 5-Methylthiolan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylthiolan-3-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 5-Methylthiolan-3-one?
The CAS number of 5-Methylthiolan-3-one is 50565-24-7.
What is the molecular formula of 5-Methylthiolan-3-one?
The molecular formula of 5-Methylthiolan-3-one is C5H8OS.
What is the molecular weight of 5-Methylthiolan-3-one?
The molecular weight of 5-Methylthiolan-3-one is 116.03 g/mol.
Where can I buy 5-Methylthiolan-3-one?
You can request a quote for 5-Methylthiolan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylthiolan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylthiolan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.