4,4'-Thiobis(3-Methylphenol)
TL;DR: 4,4'-Thiobis(3-Methylphenol) (CAS 3530-35-6) is a chemical compound with molecular formula C14H14O2S and molecular weight 246.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-hydroxy-2-methylphenyl)sulfanyl-3-methylphenol
Also Known As: 4,4'-Thiobis(3-Methylphenol), TimTec1_002154, 4-hydroxy-2-methylphenyl sulphide, 4,4 -Thiobis(3-methylphenol), Phenol, 4,4'-thiobis[3-methyl-
| Molecular Formula | C14H14O2S |
|---|---|
| Molecular Weight | 246.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.07146 |
| Heavy Atoms | 17 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 3530-35-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)O)SC2=C(C=C(C=C2)O)C |
| InChIKey | PJICANHHEXHVTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Thiobis(3-Methylphenol) (CAS 3530-35-6), with molecular formula C14H14O2S and molecular weight 246.07 g/mol. IUPAC: 4-(4-hydroxy-2-methylphenyl)sulfanyl-3-methylphenol.
Chemical Property Profile of 4,4'-Thiobis(3-Methylphenol)
Property Insights of 4,4'-Thiobis(3-Methylphenol)
The XLogP value of 4.0 indicates that 4,4'-Thiobis(3-Methylphenol) 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(3-Methylphenol). Following Lipinski's Rule of Five, 4,4'-Thiobis(3-Methylphenol) 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(3-Methylphenol)?
The CAS number of 4,4'-Thiobis(3-Methylphenol) is 3530-35-6.
What is the molecular formula of 4,4'-Thiobis(3-Methylphenol)?
The molecular formula of 4,4'-Thiobis(3-Methylphenol) is C14H14O2S.
What is the molecular weight of 4,4'-Thiobis(3-Methylphenol)?
The molecular weight of 4,4'-Thiobis(3-Methylphenol) is 246.07 g/mol.
Where can I buy 4,4'-Thiobis(3-Methylphenol)?
You can request a quote for 4,4'-Thiobis(3-Methylphenol) 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(3-Methylphenol)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Thiobis(3-Methylphenol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.