Allyl (4-methylthiophenyl) ether
TL;DR: Allyl (4-methylthiophenyl) ether (CAS 73441-60-8) is a chemical compound with molecular formula C10H12OS and molecular weight 180.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfanyl-4-prop-2-enoxybenzene
Also Known As: allyl p-methylthiophenyl ether, allyl (4-methylthiophenyl) ether, 4-thiomethylphenyl allyl ester, [4-(Methylthio)phenyl]allyl ether, 1-(allyloxy)-4-(methylthio)benzene
| Molecular Formula | C10H12OS |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.06088 |
| Heavy Atoms | 12 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 73441-60-8 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)OCC=C |
| InChIKey | ZWTAKOMULARGDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl (4-methylthiophenyl) ether (CAS 73441-60-8), with molecular formula C10H12OS and molecular weight 180.06 g/mol. IUPAC: 1-methylsulfanyl-4-prop-2-enoxybenzene.
Chemical Property Profile of Allyl (4-methylthiophenyl) ether
Property Insights of Allyl (4-methylthiophenyl) ether
The XLogP value of 3.0 indicates that Allyl (4-methylthiophenyl) ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, Allyl (4-methylthiophenyl) ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl (4-methylthiophenyl) ether 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 Allyl (4-methylthiophenyl) ether?
The CAS number of Allyl (4-methylthiophenyl) ether is 73441-60-8.
What is the molecular formula of Allyl (4-methylthiophenyl) ether?
The molecular formula of Allyl (4-methylthiophenyl) ether is C10H12OS.
What is the molecular weight of Allyl (4-methylthiophenyl) ether?
The molecular weight of Allyl (4-methylthiophenyl) ether is 180.06 g/mol.
Where can I buy Allyl (4-methylthiophenyl) ether?
You can request a quote for Allyl (4-methylthiophenyl) ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl (4-methylthiophenyl) ether?
Yes, KEHONG BIO provides custom synthesis services for Allyl (4-methylthiophenyl) ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.