3-Methoxythietane
TL;DR: 3-Methoxythietane (CAS 117471-38-2) is a chemical compound with molecular formula C4H8OS and molecular weight 104.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxythietane
Also Known As: 3-methoxythietane, thietane, 3-methoxy-, thietane,3-methoxy, RefChem:94668, InChI=1/C4H8OS/c1-5-4-2-6-3-4/h4H,2-3H2,1H
| Molecular Formula | C4H8OS |
|---|---|
| Molecular Weight | 104.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 104.02959 |
| Heavy Atoms | 6 |
| Complexity | 42.0 |
Chemical Identifiers
| CAS Number | 117471-38-2 |
|---|---|
| SMILES | COC1CSC1 |
| InChIKey | RTZXOYWQMBKWJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxythietane (CAS 117471-38-2), with molecular formula C4H8OS and molecular weight 104.03 g/mol. IUPAC: 3-methoxythietane.
Chemical Property Profile of 3-Methoxythietane
Property Insights of 3-Methoxythietane
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxythietane. With a topological polar surface area (TPSA) of 34.5 Ų, 3-Methoxythietane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxythietane 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 3-Methoxythietane?
The CAS number of 3-Methoxythietane is 117471-38-2.
What is the molecular formula of 3-Methoxythietane?
The molecular formula of 3-Methoxythietane is C4H8OS.
What is the molecular weight of 3-Methoxythietane?
The molecular weight of 3-Methoxythietane is 104.03 g/mol.
Where can I buy 3-Methoxythietane?
You can request a quote for 3-Methoxythietane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxythietane?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxythietane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.