2,2'-Thiobis(4-chloro-6-nitrophenol)
TL;DR: 2,2'-Thiobis(4-chloro-6-nitrophenol) (CAS 852-20-0) is a chemical compound with molecular formula C12H6Cl2N2O6S and molecular weight 375.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)sulfanyl-6-nitrophenol
Also Known As: Oxynide, Phenol, 2,2'-thiobis[4-chloro-6-nitro-, 2,2'-sulfanediylbis(4-chloro-6-nitrophenol), 2,2'-Thiobis(4-chloro-6-nitrophenol), 2,2'-Thiobis[4-chloro-6-nitrophenol]
| Molecular Formula | C12H6Cl2N2O6S |
|---|---|
| Molecular Weight | 375.93 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.93237 |
| Heavy Atoms | 23 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 852-20-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)SC2=CC(=CC(=C2O)[N+](=O)[O-])Cl)Cl |
| InChIKey | ZAOJWJAARUYTMA-UHFFFAOYSA-N |
Product Overview
2,2'-Thiobis(4-chloro-6-nitrophenol) (CAS 852-20-0), with molecular formula C12H6Cl2N2O6S and molecular weight 375.93 g/mol. IUPAC: 4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)sulfanyl-6-nitrophenol.
Chemical Property Profile of 2,2'-Thiobis(4-chloro-6-nitrophenol)
Property Insights of 2,2'-Thiobis(4-chloro-6-nitrophenol)
The XLogP value of 5.3 indicates that 2,2'-Thiobis(4-chloro-6-nitrophenol) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting 2,2'-Thiobis(4-chloro-6-nitrophenol) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2'-Thiobis(4-chloro-6-nitrophenol) has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2'-Thiobis(4-chloro-6-nitrophenol)?
The CAS number of 2,2'-Thiobis(4-chloro-6-nitrophenol) is 852-20-0.
What is the molecular formula of 2,2'-Thiobis(4-chloro-6-nitrophenol)?
The molecular formula of 2,2'-Thiobis(4-chloro-6-nitrophenol) is C12H6Cl2N2O6S.
What is the molecular weight of 2,2'-Thiobis(4-chloro-6-nitrophenol)?
The molecular weight of 2,2'-Thiobis(4-chloro-6-nitrophenol) is 375.93 g/mol.
Where can I buy 2,2'-Thiobis(4-chloro-6-nitrophenol)?
You can request a quote for 2,2'-Thiobis(4-chloro-6-nitrophenol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-Thiobis(4-chloro-6-nitrophenol)?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-Thiobis(4-chloro-6-nitrophenol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.