3,4,6-Trichloro-2-(3,5,6-trichloro-2-hydroxyphenylthio)phenol
TL;DR: 3,4,6-Trichloro-2-(3,5,6-trichloro-2-hydroxyphenylthio)phenol (CAS 3161-14-6) is a chemical compound with molecular formula C12H4Cl6O2S and molecular weight 421.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,6-trichloro-2-(2,3,5-trichloro-6-hydroxyphenyl)sulfanylphenol
Also Known As: 6,6'-Thiobis(2,4,5-trichlorophenol), 2,2 -Thiobis(3,4,6-trichlorophenol), KSC-336-012-1, 2,2'-sulfanediylbis(3,4,6-trichlorophenol), J3.398.388C
| Molecular Formula | C12H4Cl6O2S |
|---|---|
| Molecular Weight | 421.81 g/mol |
| LogP | 7.1694 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 421.8063 |
| Heavy Atoms | 21 |
| Complexity | 620.6632 |
Chemical Identifiers
| CAS Number | 3161-14-6 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)Cl)SC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl |
Product Overview
3,4,6-Trichloro-2-(3,5,6-trichloro-2-hydroxyphenylthio)phenol (CAS 3161-14-6), with molecular formula C12H4Cl6O2S and molecular weight 421.81 g/mol. IUPAC: 3,4,6-trichloro-2-(2,3,5-trichloro-6-hydroxyphenyl)sulfanylphenol.
Chemical Property Profile of 3,4,6-Trichloro-2-(3,5,6-trichloro-2-hydroxyphenylthio)phenol
Property Insights of 3,4,6-Trichloro-2-(3,5,6-trichloro-2-hydroxyphenylthio)phenol
The XLogP value of 7.1694 indicates that 3,4,6-Trichloro-2-(3,5,6-trichloro-2-hydroxyphenylthio)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, 3,4,6-Trichloro-2-(3,5,6-trichloro-2-hydroxyphenylthio)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,6-Trichloro-2-(3,5,6-trichloro-2-hydroxyphenylthio)phenol 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 3,4,6-Trichloro-2-(3,5,6-trichloro-2-hydroxyphenylthio)phenol?
The CAS number of 3,4,6-Trichloro-2-(3,5,6-trichloro-2-hydroxyphenylthio)phenol is 3161-14-6.
What is the molecular formula of 3,4,6-Trichloro-2-(3,5,6-trichloro-2-hydroxyphenylthio)phenol?
The molecular formula of 3,4,6-Trichloro-2-(3,5,6-trichloro-2-hydroxyphenylthio)phenol is C12H4Cl6O2S.
What is the molecular weight of 3,4,6-Trichloro-2-(3,5,6-trichloro-2-hydroxyphenylthio)phenol?
The molecular weight of 3,4,6-Trichloro-2-(3,5,6-trichloro-2-hydroxyphenylthio)phenol is 421.81 g/mol.
Where can I buy 3,4,6-Trichloro-2-(3,5,6-trichloro-2-hydroxyphenylthio)phenol?
You can request a quote for 3,4,6-Trichloro-2-(3,5,6-trichloro-2-hydroxyphenylthio)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,6-Trichloro-2-(3,5,6-trichloro-2-hydroxyphenylthio)phenol?
Yes, KEHONG BIO provides custom synthesis services for 3,4,6-Trichloro-2-(3,5,6-trichloro-2-hydroxyphenylthio)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.