1,3-Benzenediol, 4,4'-thiobis[6-chloro-
TL;DR: 1,3-Benzenediol, 4,4'-thiobis[6-chloro- (CAS 28341-68-6) is a chemical compound with molecular formula C12H8Cl2O4S and molecular weight 317.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-6-(5-chloro-2,4-dihydroxyphenyl)sulfanylbenzene-1,3-diol
Also Known As: 1,3-benzenediol, 4,4'-thiobis[6-chloro-, Resorcinol, 4,4'-thiobis(6-chloro-, 4,4'-Thiobis[6-chlororesorcinol], 1,3-Benzenediol, 4,4'-thiobis(6-chloro-, 4,4 -Thiobis[6-chlororesorcinol]
| Molecular Formula | C12H8Cl2O4S |
|---|---|
| Molecular Weight | 317.95 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.95203 |
| Heavy Atoms | 19 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 28341-68-6 |
|---|---|
| SMILES | C1=C(C(=CC(=C1O)Cl)SC2=CC(=C(C=C2O)O)Cl)O |
| InChIKey | RIPFOQYATDLGCF-UHFFFAOYSA-N |
Product Overview
1,3-Benzenediol, 4,4'-thiobis[6-chloro- (CAS 28341-68-6), with molecular formula C12H8Cl2O4S and molecular weight 317.95 g/mol. IUPAC: 4-chloro-6-(5-chloro-2,4-dihydroxyphenyl)sulfanylbenzene-1,3-diol.
Chemical Property Profile of 1,3-Benzenediol, 4,4'-thiobis[6-chloro-
Property Insights of 1,3-Benzenediol, 4,4'-thiobis[6-chloro-
The XLogP value of 3.8 indicates that 1,3-Benzenediol, 4,4'-thiobis[6-chloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenediol, 4,4'-thiobis[6-chloro-. Following Lipinski's Rule of Five, 1,3-Benzenediol, 4,4'-thiobis[6-chloro- has 4 hydrogen bond donor(s) and 5 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 1,3-Benzenediol, 4,4'-thiobis[6-chloro-?
The CAS number of 1,3-Benzenediol, 4,4'-thiobis[6-chloro- is 28341-68-6.
What is the molecular formula of 1,3-Benzenediol, 4,4'-thiobis[6-chloro-?
The molecular formula of 1,3-Benzenediol, 4,4'-thiobis[6-chloro- is C12H8Cl2O4S.
What is the molecular weight of 1,3-Benzenediol, 4,4'-thiobis[6-chloro-?
The molecular weight of 1,3-Benzenediol, 4,4'-thiobis[6-chloro- is 317.95 g/mol.
Where can I buy 1,3-Benzenediol, 4,4'-thiobis[6-chloro-?
You can request a quote for 1,3-Benzenediol, 4,4'-thiobis[6-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediol, 4,4'-thiobis[6-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediol, 4,4'-thiobis[6-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.