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Benzene, [2-(methylthio)ethoxy]-
TL;DR: Benzene, [2-(methylthio)ethoxy]- (CAS 65199-13-5) 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.
2-methylsulfanylethoxybenzene
Also Known As: 2-methylsulfanylethoxybenzene, [2-(Methylthio)ethoxy]benzene, [2-(methylsulfanyl)ethoxy]benzene, Benzene, [2-(methylthio)ethoxy]-, methyl(2-phenoxyethyl)sulfane
| Molecular Formula | C9H12OS |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 2.4284 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.06088 |
| Heavy Atoms | 11 |
| Complexity | 186.01404 |
Chemical Identifiers
| CAS Number | 65199-13-5 |
|---|---|
| SMILES | CSCCOC1=CC=CC=C1 |
Product Overview
Benzene, [2-(methylthio)ethoxy]- (CAS 65199-13-5), with molecular formula C9H12OS and molecular weight 168.06 g/mol. IUPAC: 2-methylsulfanylethoxybenzene.
Chemical Property Profile of Benzene, [2-(methylthio)ethoxy]-
Property Insights of Benzene, [2-(methylthio)ethoxy]-
The XLogP value of 2.4284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, [2-(methylthio)ethoxy]-. With a topological polar surface area (TPSA) of 9.23 Ų, Benzene, [2-(methylthio)ethoxy]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, [2-(methylthio)ethoxy]- 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 Benzene, [2-(methylthio)ethoxy]-?
The CAS number of Benzene, [2-(methylthio)ethoxy]- is 65199-13-5.
What is the molecular formula of Benzene, [2-(methylthio)ethoxy]-?
The molecular formula of Benzene, [2-(methylthio)ethoxy]- is C9H12OS.
What is the molecular weight of Benzene, [2-(methylthio)ethoxy]-?
The molecular weight of Benzene, [2-(methylthio)ethoxy]- is 168.06 g/mol.
Where can I buy Benzene, [2-(methylthio)ethoxy]-?
You can request a quote for Benzene, [2-(methylthio)ethoxy]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, [2-(methylthio)ethoxy]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, [2-(methylthio)ethoxy]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.