Phenol, 2,2'-thiobis(4-chloro-6-methyl)-
TL;DR: Phenol, 2,2'-thiobis(4-chloro-6-methyl)- (CAS 4418-66-0) is a chemical compound with molecular formula C14H12Cl2O2S and molecular weight 313.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-(4-chloro-2-hydroxy-6-methylphenyl)sulfanyl-3-methylphenol
Also Known As: Chlorbisan, Orbisan, Caswell No. 850, Caswell No 850, 2,2'-Thiobis(4-chloro-6-methylphenol)
| Molecular Formula | C14H12Cl2O2S |
|---|---|
| Molecular Weight | 313.99 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.9935 |
| Heavy Atoms | 19 |
| Complexity | 277.0 |
| Melting Point | 175.0 °C |
| Boiling Point | 443 °C @760 [mm Hg] |
| Vapor Pressure | 0.0000001 [mm Hg] @25 °C |
Chemical Identifiers
| CAS Number | 4418-66-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1SC2=C(C=C(C=C2C)Cl)O)O)Cl |
| InChIKey | HQRDNJVKXWYKAR-UHFFFAOYSA-N |
Product Overview
Phenol, 2,2'-thiobis(4-chloro-6-methyl)- (CAS 4418-66-0), with molecular formula C14H12Cl2O2S and molecular weight 313.99 g/mol. IUPAC: 5-chloro-2-(4-chloro-2-hydroxy-6-methylphenyl)sulfanyl-3-methylphenol.
Chemical Property Profile of Phenol, 2,2'-thiobis(4-chloro-6-methyl)-
Property Insights of Phenol, 2,2'-thiobis(4-chloro-6-methyl)-
The XLogP value of 5.3 indicates that Phenol, 2,2'-thiobis(4-chloro-6-methyl)- 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 Phenol, 2,2'-thiobis(4-chloro-6-methyl)-. Following Lipinski's Rule of Five, Phenol, 2,2'-thiobis(4-chloro-6-methyl)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenol, 2,2'-thiobis(4-chloro-6-methyl)-?
The CAS number of Phenol, 2,2'-thiobis(4-chloro-6-methyl)- is 4418-66-0.
What is the molecular formula of Phenol, 2,2'-thiobis(4-chloro-6-methyl)-?
The molecular formula of Phenol, 2,2'-thiobis(4-chloro-6-methyl)- is C14H12Cl2O2S.
What is the molecular weight of Phenol, 2,2'-thiobis(4-chloro-6-methyl)-?
The molecular weight of Phenol, 2,2'-thiobis(4-chloro-6-methyl)- is 313.99 g/mol.
Where can I buy Phenol, 2,2'-thiobis(4-chloro-6-methyl)-?
You can request a quote for Phenol, 2,2'-thiobis(4-chloro-6-methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2,2'-thiobis(4-chloro-6-methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2,2'-thiobis(4-chloro-6-methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.