4,4'-Dithiodianiline dihydrochloride
TL;DR: 4,4'-Dithiodianiline dihydrochloride (CAS 6961-89-3) is a chemical compound with molecular formula C12H14Cl2N2S2 and molecular weight 320.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-aminophenyl)disulfanyl]aniline;dihydrochloride
Also Known As: 4,4'-Dithiobisaniline dihydrochloride, 4,4'-Dithiodianiline dihydrochloride, 4,4'-disulfanediyldianiline dihydrochloride, Aniline, 4,4'-dithiodi-, dihydrochloride, 4-(4-aminophenyl)disulfanylaniline
| Molecular Formula | C12H14Cl2N2S2 |
|---|---|
| Molecular Weight | 320.00 g/mol |
| LogP | 4.49 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.99756 |
| Heavy Atoms | 18 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 6961-89-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N)SSC2=CC=C(C=C2)N.Cl.Cl |
| InChIKey | VQTNNDMTHJSAEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Dithiodianiline dihydrochloride (CAS 6961-89-3), with molecular formula C12H14Cl2N2S2 and molecular weight 320.00 g/mol. IUPAC: 4-[(4-aminophenyl)disulfanyl]aniline;dihydrochloride.
Chemical Property Profile of 4,4'-Dithiodianiline dihydrochloride
Property Insights of 4,4'-Dithiodianiline dihydrochloride
The XLogP value of 4.49 indicates that 4,4'-Dithiodianiline dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Dithiodianiline dihydrochloride. Following Lipinski's Rule of Five, 4,4'-Dithiodianiline dihydrochloride has 4 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'-Dithiodianiline dihydrochloride?
The CAS number of 4,4'-Dithiodianiline dihydrochloride is 6961-89-3.
What is the molecular formula of 4,4'-Dithiodianiline dihydrochloride?
The molecular formula of 4,4'-Dithiodianiline dihydrochloride is C12H14Cl2N2S2.
What is the molecular weight of 4,4'-Dithiodianiline dihydrochloride?
The molecular weight of 4,4'-Dithiodianiline dihydrochloride is 320.00 g/mol.
Where can I buy 4,4'-Dithiodianiline dihydrochloride?
You can request a quote for 4,4'-Dithiodianiline dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Dithiodianiline dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Dithiodianiline dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.