4-Ethylthioanisole
TL;DR: 4-Ethylthioanisole (CAS 31218-75-4) is a chemical compound with molecular formula C9H12S and molecular weight 152.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-4-methylsulfanylbenzene
Also Known As: 4-Ethylthioanisole, 4-(ethyl)thioanisole, 1-ethyl-4-methylsulfanylbenzene, 1-Ethyl-4-(methylthio)benzene, p-ethylphenyl methyl sulfide
| Molecular Formula | C9H12S |
|---|---|
| Molecular Weight | 152.07 g/mol |
| LogP | 2.9709 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.06598 |
| Heavy Atoms | 10 |
| Complexity | 165.38817 |
Chemical Identifiers
| CAS Number | 31218-75-4 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)SC |
Product Overview
4-Ethylthioanisole (CAS 31218-75-4), with molecular formula C9H12S and molecular weight 152.07 g/mol. IUPAC: 1-ethyl-4-methylsulfanylbenzene.
Chemical Property Profile of 4-Ethylthioanisole
Property Insights of 4-Ethylthioanisole
The XLogP value of 2.9709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethylthioanisole. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Ethylthioanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethylthioanisole has 0 hydrogen bond donor(s) and 1 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-Ethylthioanisole?
The CAS number of 4-Ethylthioanisole is 31218-75-4.
What is the molecular formula of 4-Ethylthioanisole?
The molecular formula of 4-Ethylthioanisole is C9H12S.
What is the molecular weight of 4-Ethylthioanisole?
The molecular weight of 4-Ethylthioanisole is 152.07 g/mol.
Where can I buy 4-Ethylthioanisole?
You can request a quote for 4-Ethylthioanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethylthioanisole?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethylthioanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.