4-Ethyl-2-methoxybenzene-1-thiol
TL;DR: 4-Ethyl-2-methoxybenzene-1-thiol (CAS 1024226-58-1) is a chemical compound with molecular formula C9H12OS and molecular weight 168.06088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethyl-2-methoxybenzenethiol
Also Known As: 4-ethyl-2-methoxybenzenethiol, 4-ETHYL-2-METHOXYBENZENE-1-THIOL, 4-ethyl-2-methoxy-benzenethiol
Technical Specifications
| Molecular Formula | C9H12OS |
| Molecular Weight | 168.06088 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 10.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.06088 Da |
| Heavy Atoms | 11 |
| Complexity | 116.0 |
| SMILES | CCC1=CC(=C(C=C1)S)OC |
| InChIKey | DQQMJUBRSQMHHV-UHFFFAOYSA-N |
Chemical Property Profile of 4-Ethyl-2-methoxybenzene-1-thiol
Property Insights of 4-Ethyl-2-methoxybenzene-1-thiol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-2-methoxybenzene-1-thiol. With a topological polar surface area (TPSA) of 10.2 Ų, 4-Ethyl-2-methoxybenzene-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-2-methoxybenzene-1-thiol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Ethyl-2-methoxybenzene-1-thiol?
The CAS number of 4-Ethyl-2-methoxybenzene-1-thiol is 1024226-58-1.
What is the molecular formula of 4-Ethyl-2-methoxybenzene-1-thiol?
The molecular formula of 4-Ethyl-2-methoxybenzene-1-thiol is C9H12OS.
What is the molecular weight of 4-Ethyl-2-methoxybenzene-1-thiol?
The molecular weight of 4-Ethyl-2-methoxybenzene-1-thiol is 168.06088 g/mol.
Where can I buy 4-Ethyl-2-methoxybenzene-1-thiol?
You can request a quote for 4-Ethyl-2-methoxybenzene-1-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Ethyl-2-methoxybenzene-1-thiol?
Yes, CoreyChem provides custom synthesis services for 4-Ethyl-2-methoxybenzene-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.