Phenol, 2,6-dimethyl-4-(methylthio)-
TL;DR: Phenol, 2,6-dimethyl-4-(methylthio)- (CAS 8058-57-9) 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.
2,6-dimethyl-4-methylsulfanylphenol
Also Known As: 2,6-dimethyl-4-(methylthio)phenol, phenol, 2,6-dimethyl-4-(methylthio)-, 2,6-dimethyl-4-(methylsulfanyl)phenol, 2,6-dimethyl-4-methylsulfanylphenol, 4-Methylthio-2,6-xylenol
| Molecular Formula | C9H12OS |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.06088 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 8058-57-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C)SC |
| InChIKey | MGOOYXDTXUPBTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 2,6-dimethyl-4-(methylthio)- (CAS 8058-57-9), with molecular formula C9H12OS and molecular weight 168.06 g/mol. IUPAC: 2,6-dimethyl-4-methylsulfanylphenol.
Chemical Property Profile of Phenol, 2,6-dimethyl-4-(methylthio)-
Property Insights of Phenol, 2,6-dimethyl-4-(methylthio)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 2,6-dimethyl-4-(methylthio)-. With a topological polar surface area (TPSA) of 45.5 Ų, Phenol, 2,6-dimethyl-4-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 2,6-dimethyl-4-(methylthio)- 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
Frequently Asked Questions
What is the CAS number of Phenol, 2,6-dimethyl-4-(methylthio)-?
The CAS number of Phenol, 2,6-dimethyl-4-(methylthio)- is 8058-57-9.
What is the molecular formula of Phenol, 2,6-dimethyl-4-(methylthio)-?
The molecular formula of Phenol, 2,6-dimethyl-4-(methylthio)- is C9H12OS.
What is the molecular weight of Phenol, 2,6-dimethyl-4-(methylthio)-?
The molecular weight of Phenol, 2,6-dimethyl-4-(methylthio)- is 168.06 g/mol.
Where can I buy Phenol, 2,6-dimethyl-4-(methylthio)-?
You can request a quote for Phenol, 2,6-dimethyl-4-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2,6-dimethyl-4-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2,6-dimethyl-4-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.