![2-[(3,5-Difluorobenzyl)thio]aniline structure](/static/products/2591/259132-34-8.webp)
2-[(3,5-Difluorobenzyl)thio]aniline
TL;DR: 2-[(3,5-Difluorobenzyl)thio]aniline (CAS 259132-34-8) is a chemical compound with molecular formula C13H11F2NS and molecular weight 251.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-difluorophenyl)methylsulfanyl]aniline
Also Known As: 2-[(3,5-difluorobenzyl)thio]aniline, 2-[(3,5-difluorophenyl)methylsulfanyl]aniline, 2-[(3,5-difluorophenyl)methylthio]phenylamine, 2-{[(3,5-difluorophenyl)methyl]sulfanyl}aniline
| Molecular Formula | C13H11F2NS |
|---|---|
| Molecular Weight | 251.06 g/mol |
| LogP | 3.8393 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.05803 |
| Heavy Atoms | 17 |
| Complexity | 508.32794 |
Chemical Identifiers
| CAS Number | 259132-34-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)SCC2=CC(=CC(=C2)F)F |
Product Overview
2-[(3,5-Difluorobenzyl)thio]aniline (CAS 259132-34-8), with molecular formula C13H11F2NS and molecular weight 251.06 g/mol. IUPAC: 2-[(3,5-difluorophenyl)methylsulfanyl]aniline.
Chemical Property Profile of 2-[(3,5-Difluorobenzyl)thio]aniline
Property Insights of 2-[(3,5-Difluorobenzyl)thio]aniline
The XLogP value of 3.8393 indicates that 2-[(3,5-Difluorobenzyl)thio]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.02 Ų, 2-[(3,5-Difluorobenzyl)thio]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3,5-Difluorobenzyl)thio]aniline 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 2-[(3,5-Difluorobenzyl)thio]aniline?
The CAS number of 2-[(3,5-Difluorobenzyl)thio]aniline is 259132-34-8.
What is the molecular formula of 2-[(3,5-Difluorobenzyl)thio]aniline?
The molecular formula of 2-[(3,5-Difluorobenzyl)thio]aniline is C13H11F2NS.
What is the molecular weight of 2-[(3,5-Difluorobenzyl)thio]aniline?
The molecular weight of 2-[(3,5-Difluorobenzyl)thio]aniline is 251.06 g/mol.
Where can I buy 2-[(3,5-Difluorobenzyl)thio]aniline?
You can request a quote for 2-[(3,5-Difluorobenzyl)thio]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,5-Difluorobenzyl)thio]aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,5-Difluorobenzyl)thio]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.