4,4'-Thiobis(2,6-xylenol)
TL;DR: 4,4'-Thiobis(2,6-xylenol) (CAS 18525-99-0) is a chemical compound with molecular formula C16H18O2S and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-hydroxy-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenol
Also Known As: 4,4'-Thiobis(2,6-xylenol), 4,4'-thiobis[2,6-xylenol], 4,4/'-thiobis[2,6-xylenol], 4,4'-Thiobis(2,6-dimethylphenol), 4,4'-Thiobis[2,6-dimethylphenol]
| Molecular Formula | C16H18O2S |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.10275 |
| Heavy Atoms | 19 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 18525-99-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C)SC2=CC(=C(C(=C2)C)O)C |
| InChIKey | JPSMTGONABILTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Thiobis(2,6-xylenol) (CAS 18525-99-0), with molecular formula C16H18O2S and molecular weight 274.10 g/mol. IUPAC: 4-(4-hydroxy-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenol.
Chemical Property Profile of 4,4'-Thiobis(2,6-xylenol)
Property Insights of 4,4'-Thiobis(2,6-xylenol)
The XLogP value of 4.7 indicates that 4,4'-Thiobis(2,6-xylenol) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Thiobis(2,6-xylenol). Following Lipinski's Rule of Five, 4,4'-Thiobis(2,6-xylenol) has 2 hydrogen bond donor(s) and 3 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 4,4'-Thiobis(2,6-xylenol)?
The CAS number of 4,4'-Thiobis(2,6-xylenol) is 18525-99-0.
What is the molecular formula of 4,4'-Thiobis(2,6-xylenol)?
The molecular formula of 4,4'-Thiobis(2,6-xylenol) is C16H18O2S.
What is the molecular weight of 4,4'-Thiobis(2,6-xylenol)?
The molecular weight of 4,4'-Thiobis(2,6-xylenol) is 274.10 g/mol.
Where can I buy 4,4'-Thiobis(2,6-xylenol)?
You can request a quote for 4,4'-Thiobis(2,6-xylenol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Thiobis(2,6-xylenol)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Thiobis(2,6-xylenol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.