4,4'-Thiodianiline
TL;DR: 4,4'-Thiodianiline (CAS 139-65-1) is a chemical compound with molecular formula C12H12N2S and molecular weight 216.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-aminophenyl)sulfanylaniline
Also Known As: 4,4'-Thiodianiline, 4,4-thiodianiline, Thioaniline, 4,4'-Diaminodiphenyl sulfide, p,p-Thiodianiline
| Molecular Formula | C12H12N2S |
|---|---|
| Molecular Weight | 216.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.07211 |
| Heavy Atoms | 15 |
| Complexity | 162.0 |
| Melting Point | 226 to 108.9 °C |
| Solubility | less than 0.1 mg/mL at 68 °F (NTP, 1992) |
| Vapor Pressure | 0.0000111 [mmHg] |
Chemical Identifiers
| CAS Number | 139-65-1 |
|---|---|
| SMILES | C1=CC(=CC=C1N)SC2=CC=C(C=C2)N |
| InChIKey | ICNFHJVPAJKPHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Thiodianiline (CAS 139-65-1), with molecular formula C12H12N2S and molecular weight 216.07 g/mol. IUPAC: 4-(4-aminophenyl)sulfanylaniline.
Chemical Property Profile of 4,4'-Thiodianiline
Property Insights of 4,4'-Thiodianiline
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Thiodianiline. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Thiodianiline. Following Lipinski's Rule of Five, 4,4'-Thiodianiline has 2 hydrogen bond donor(s) and 3 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'-Thiodianiline?
The CAS number of 4,4'-Thiodianiline is 139-65-1.
What is the molecular formula of 4,4'-Thiodianiline?
The molecular formula of 4,4'-Thiodianiline is C12H12N2S.
What is the molecular weight of 4,4'-Thiodianiline?
The molecular weight of 4,4'-Thiodianiline is 216.07 g/mol.
Where can I buy 4,4'-Thiodianiline?
You can request a quote for 4,4'-Thiodianiline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Thiodianiline?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Thiodianiline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.