2-(Methylthiomethyl)anisole
TL;DR: 2-(Methylthiomethyl)anisole (CAS 81077-60-3) 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-2-(methylsulfanylmethyl)benzene
Also Known As: 2-Methoxybenzyl methyl sulfide, o-methylthiomethylanisole, (methylthiomethyl)anisole, (2-Methoxybenzyl)(methyl)sulfane, 2-(Methylthiomethyl)anisole
| 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 | 222.55765 |
Chemical Identifiers
| CAS Number | 81077-60-3 |
|---|---|
| SMILES | COC1=CC=CC=C1CSC |
Product Overview
2-(Methylthiomethyl)anisole (CAS 81077-60-3), with molecular formula C9H12OS and molecular weight 168.06 g/mol. IUPAC: 1-methoxy-2-(methylsulfanylmethyl)benzene.
Chemical Property Profile of 2-(Methylthiomethyl)anisole
Property Insights of 2-(Methylthiomethyl)anisole
The XLogP value of 2.5582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthiomethyl)anisole. With a topological polar surface area (TPSA) of 9.23 Ų, 2-(Methylthiomethyl)anisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(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 2-(Methylthiomethyl)anisole?
The CAS number of 2-(Methylthiomethyl)anisole is 81077-60-3.
What is the molecular formula of 2-(Methylthiomethyl)anisole?
The molecular formula of 2-(Methylthiomethyl)anisole is C9H12OS.
What is the molecular weight of 2-(Methylthiomethyl)anisole?
The molecular weight of 2-(Methylthiomethyl)anisole is 168.06 g/mol.
Where can I buy 2-(Methylthiomethyl)anisole?
You can request a quote for 2-(Methylthiomethyl)anisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylthiomethyl)anisole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthiomethyl)anisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.