2-(3,4,5-Trimethoxyphenyl)ethane-1-thiol
TL;DR: 2-(3,4,5-Trimethoxyphenyl)ethane-1-thiol (CAS 1024284-96-5) is a chemical compound with molecular formula C11H16O3S and molecular weight 228.08202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,4,5-trimethoxyphenyl)ethanethiol
Also Known As: 2-(3,4,5-trimethoxyphenyl)ethanethiol, 2-(3,4,5-trimethoxyphenyl)ethane-1-thiol
Technical Specifications
| Molecular Formula | C11H16O3S |
| Molecular Weight | 228.08202 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.08202 Da |
| Heavy Atoms | 15 |
| Complexity | 163.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)CCS |
| InChIKey | QYNNXCNPWPPHAD-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3,4,5-Trimethoxyphenyl)ethane-1-thiol
Property Insights of 2-(3,4,5-Trimethoxyphenyl)ethane-1-thiol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4,5-Trimethoxyphenyl)ethane-1-thiol. With a topological polar surface area (TPSA) of 28.7 Ų, 2-(3,4,5-Trimethoxyphenyl)ethane-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4,5-Trimethoxyphenyl)ethane-1-thiol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(3,4,5-Trimethoxyphenyl)ethane-1-thiol?
The CAS number of 2-(3,4,5-Trimethoxyphenyl)ethane-1-thiol is 1024284-96-5.
What is the molecular formula of 2-(3,4,5-Trimethoxyphenyl)ethane-1-thiol?
The molecular formula of 2-(3,4,5-Trimethoxyphenyl)ethane-1-thiol is C11H16O3S.
What is the molecular weight of 2-(3,4,5-Trimethoxyphenyl)ethane-1-thiol?
The molecular weight of 2-(3,4,5-Trimethoxyphenyl)ethane-1-thiol is 228.08202 g/mol.
Where can I buy 2-(3,4,5-Trimethoxyphenyl)ethane-1-thiol?
You can request a quote for 2-(3,4,5-Trimethoxyphenyl)ethane-1-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3,4,5-Trimethoxyphenyl)ethane-1-thiol?
Yes, CoreyChem provides custom synthesis services for 2-(3,4,5-Trimethoxyphenyl)ethane-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.