4,4'-Sulfinyldianiline
TL;DR: 4,4'-Sulfinyldianiline (CAS 119-59-5) is a chemical compound with molecular formula C12H12N2OS and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-aminophenyl)sulfinylaniline
Also Known As: Medapsol, 4,4'-Sulfinyldianiline, DDSO, p,p'-Sulfinyldianiline, 4,4'-Diaminodiphenyl sulfoxide
| Molecular Formula | C12H12N2OS |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.06703 |
| Heavy Atoms | 16 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 119-59-5 |
|---|---|
| SMILES | C1=CC(=CC=C1N)S(=O)C2=CC=C(C=C2)N |
| InChIKey | MITHMOYLTXMLRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Sulfinyldianiline (CAS 119-59-5), with molecular formula C12H12N2OS and molecular weight 232.07 g/mol. IUPAC: 4-(4-aminophenyl)sulfinylaniline.
Chemical Property Profile of 4,4'-Sulfinyldianiline
Property Insights of 4,4'-Sulfinyldianiline
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Sulfinyldianiline. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Sulfinyldianiline. Following Lipinski's Rule of Five, 4,4'-Sulfinyldianiline has 2 hydrogen bond donor(s) and 4 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 4,4'-Sulfinyldianiline?
The CAS number of 4,4'-Sulfinyldianiline is 119-59-5.
What is the molecular formula of 4,4'-Sulfinyldianiline?
The molecular formula of 4,4'-Sulfinyldianiline is C12H12N2OS.
What is the molecular weight of 4,4'-Sulfinyldianiline?
The molecular weight of 4,4'-Sulfinyldianiline is 232.07 g/mol.
Where can I buy 4,4'-Sulfinyldianiline?
You can request a quote for 4,4'-Sulfinyldianiline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Sulfinyldianiline?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Sulfinyldianiline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.