Bithionol sulfoxide
TL;DR: Bithionol sulfoxide (CAS 844-26-8) is a chemical compound with molecular formula C12H6Cl4O3S and molecular weight 369.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfinylphenol
Also Known As: Bithionoloxide, Bithionol sulfoxide, Bitionoloxido, Sulphene, Bithionoloxidum
| Molecular Formula | C12H6Cl4O3S |
|---|---|
| Molecular Weight | 369.88 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.87622 |
| Heavy Atoms | 20 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 844-26-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1S(=O)C2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl |
| InChIKey | RPAJWWXZIQJVJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bithionol sulfoxide (CAS 844-26-8), with molecular formula C12H6Cl4O3S and molecular weight 369.88 g/mol. IUPAC: 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfinylphenol.
Chemical Property Profile of Bithionol sulfoxide
Property Insights of Bithionol sulfoxide
The XLogP value of 5.1 indicates that Bithionol sulfoxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Bithionol sulfoxide. Following Lipinski's Rule of Five, Bithionol sulfoxide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bithionol sulfoxide?
The CAS number of Bithionol sulfoxide is 844-26-8.
What is the molecular formula of Bithionol sulfoxide?
The molecular formula of Bithionol sulfoxide is C12H6Cl4O3S.
What is the molecular weight of Bithionol sulfoxide?
The molecular weight of Bithionol sulfoxide is 369.88 g/mol.
Where can I buy Bithionol sulfoxide?
You can request a quote for Bithionol sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bithionol sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for Bithionol sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.