alpha-(p-Chlorophenylthio)-p-toluidine
TL;DR: alpha-(p-Chlorophenylthio)-p-toluidine (CAS 6969-14-8) is a chemical compound with molecular formula C13H12ClNS and molecular weight 249.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)sulfanylmethyl]aniline
Also Known As: 4-{[(4-chlorophenyl)sulfanyl]methyl}phenylamine, 4-(((4-Chlorophenyl)thio)methyl)aniline, 4-[(4-chlorophenyl)sulfanylmethyl]aniline, 4-{[(4-chlorophenyl)sulfanyl]methyl}aniline, alpha-(p-Chlorophenylthio)-p-toluidine
| Molecular Formula | C13H12ClNS |
|---|---|
| Molecular Weight | 249.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.0379 |
| Heavy Atoms | 16 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 6969-14-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)N |
| InChIKey | GLWJXRWRWISHMX-UHFFFAOYSA-N |
Product Overview
alpha-(p-Chlorophenylthio)-p-toluidine (CAS 6969-14-8), with molecular formula C13H12ClNS and molecular weight 249.04 g/mol. IUPAC: 4-[(4-chlorophenyl)sulfanylmethyl]aniline.
Chemical Property Profile of alpha-(p-Chlorophenylthio)-p-toluidine
Property Insights of alpha-(p-Chlorophenylthio)-p-toluidine
The XLogP value of 3.9 indicates that alpha-(p-Chlorophenylthio)-p-toluidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, alpha-(p-Chlorophenylthio)-p-toluidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(p-Chlorophenylthio)-p-toluidine has 1 hydrogen bond donor(s) and 2 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 alpha-(p-Chlorophenylthio)-p-toluidine?
The CAS number of alpha-(p-Chlorophenylthio)-p-toluidine is 6969-14-8.
What is the molecular formula of alpha-(p-Chlorophenylthio)-p-toluidine?
The molecular formula of alpha-(p-Chlorophenylthio)-p-toluidine is C13H12ClNS.
What is the molecular weight of alpha-(p-Chlorophenylthio)-p-toluidine?
The molecular weight of alpha-(p-Chlorophenylthio)-p-toluidine is 249.04 g/mol.
Where can I buy alpha-(p-Chlorophenylthio)-p-toluidine?
You can request a quote for alpha-(p-Chlorophenylthio)-p-toluidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(p-Chlorophenylthio)-p-toluidine?
Yes, KEHONG BIO provides custom synthesis services for alpha-(p-Chlorophenylthio)-p-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.