4-(Methylthiomethyl)anisole
TL;DR: 4-(Methylthiomethyl)anisole (CAS 5925-86-0) is a chemical compound with molecular formula C9H12OS and molecular weight 168.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-4-(methylsulfanylmethyl)benzene
Also Known As: (4-methoxybenzyl)(methyl)sulfane, 4-Methoxybenzyl methyl sulfide, p-Anisyl methyl sulfide, 1-methoxy-4-(methylsulfanylmethyl)benzene, 1-methoxy-4-[(methylsulfanyl)methyl]benzene
| Molecular Formula | C9H12OS |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 2.5582 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.06088 |
| Heavy Atoms | 11 |
| Complexity | 205.30765 |
Chemical Identifiers
| CAS Number | 5925-86-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC |
Product Overview
4-(Methylthiomethyl)anisole (CAS 5925-86-0), with molecular formula C9H12OS and molecular weight 168.06 g/mol. IUPAC: 1-methoxy-4-(methylsulfanylmethyl)benzene.
Chemical Property Profile of 4-(Methylthiomethyl)anisole
Property Insights of 4-(Methylthiomethyl)anisole
The XLogP value of 2.5582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylthiomethyl)anisole. With a topological polar surface area (TPSA) of 9.23 Ų, 4-(Methylthiomethyl)anisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Methylthiomethyl)anisole 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 4-(Methylthiomethyl)anisole?
The CAS number of 4-(Methylthiomethyl)anisole is 5925-86-0.
What is the molecular formula of 4-(Methylthiomethyl)anisole?
The molecular formula of 4-(Methylthiomethyl)anisole is C9H12OS.
What is the molecular weight of 4-(Methylthiomethyl)anisole?
The molecular weight of 4-(Methylthiomethyl)anisole is 168.06 g/mol.
Where can I buy 4-(Methylthiomethyl)anisole?
You can request a quote for 4-(Methylthiomethyl)anisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylthiomethyl)anisole?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylthiomethyl)anisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.