3,5-Dimethyl-4-methoxythiophenol
TL;DR: 3,5-Dimethyl-4-methoxythiophenol (CAS 140131-92-6) 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-methoxy-3,5-dimethylbenzenethiol
Also Known As: 3,5-Dimethyl-4-methoxythiophenol, 4-methoxy-3,5-dimethylbenzenethiol, 4-methoxy-3,5-dimethylbenzene-1-thiol, 5-Mercapto-2-methoxy-m-xylene, 4-methoxy-3,5-dimethyl-benzenethiol
Technical Specifications
| Molecular Formula | C9H12OS |
| Molecular Weight | 168.06088 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 10.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.06088 Da |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
| SMILES | CC1=CC(=CC(=C1OC)C)S |
| InChIKey | QBWMTSFFLQROAE-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Dimethyl-4-methoxythiophenol
Property Insights of 3,5-Dimethyl-4-methoxythiophenol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-4-methoxythiophenol. With a topological polar surface area (TPSA) of 10.2 Ų, 3,5-Dimethyl-4-methoxythiophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-methoxythiophenol 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 3,5-Dimethyl-4-methoxythiophenol?
The CAS number of 3,5-Dimethyl-4-methoxythiophenol is 140131-92-6.
What is the molecular formula of 3,5-Dimethyl-4-methoxythiophenol?
The molecular formula of 3,5-Dimethyl-4-methoxythiophenol is C9H12OS.
What is the molecular weight of 3,5-Dimethyl-4-methoxythiophenol?
The molecular weight of 3,5-Dimethyl-4-methoxythiophenol is 168.06088 g/mol.
Where can I buy 3,5-Dimethyl-4-methoxythiophenol?
You can request a quote for 3,5-Dimethyl-4-methoxythiophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Dimethyl-4-methoxythiophenol?
Yes, CoreyChem provides custom synthesis services for 3,5-Dimethyl-4-methoxythiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.