![4-[(2-Chlorophenyl)methylsulfanyl]aniline structure](/static/products/7109/710966-52-2.webp)
4-[(2-Chlorophenyl)methylsulfanyl]aniline
TL;DR: 4-[(2-Chlorophenyl)methylsulfanyl]aniline (CAS 710966-52-2) 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-[(2-chlorophenyl)methylsulfanyl]aniline
Also Known As: 4-{[(2-chlorophenyl)methyl]sulfanyl}aniline, 4-[(2-chlorophenyl)methylsulfanyl]aniline, 4-((2-CHLOROBENZYL)THIO)ANILINE, 4-[(2-chlorophenyl)methylthio]phenylamine, 4-{(2-chlorophenyl)methylsulfanyl}aniline
| Molecular Formula | C13H12ClNS |
|---|---|
| Molecular Weight | 249.04 g/mol |
| LogP | 4.2145 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.0379 |
| Heavy Atoms | 16 |
| Complexity | 467.61374 |
Chemical Identifiers
| CAS Number | 710966-52-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=CC=C(C=C2)N)Cl |
Product Overview
4-[(2-Chlorophenyl)methylsulfanyl]aniline (CAS 710966-52-2), with molecular formula C13H12ClNS and molecular weight 249.04 g/mol. IUPAC: 4-[(2-chlorophenyl)methylsulfanyl]aniline.
Chemical Property Profile of 4-[(2-Chlorophenyl)methylsulfanyl]aniline
Property Insights of 4-[(2-Chlorophenyl)methylsulfanyl]aniline
The XLogP value of 4.2145 indicates that 4-[(2-Chlorophenyl)methylsulfanyl]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, 4-[(2-Chlorophenyl)methylsulfanyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(2-Chlorophenyl)methylsulfanyl]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 4-[(2-Chlorophenyl)methylsulfanyl]aniline?
The CAS number of 4-[(2-Chlorophenyl)methylsulfanyl]aniline is 710966-52-2.
What is the molecular formula of 4-[(2-Chlorophenyl)methylsulfanyl]aniline?
The molecular formula of 4-[(2-Chlorophenyl)methylsulfanyl]aniline is C13H12ClNS.
What is the molecular weight of 4-[(2-Chlorophenyl)methylsulfanyl]aniline?
The molecular weight of 4-[(2-Chlorophenyl)methylsulfanyl]aniline is 249.04 g/mol.
Where can I buy 4-[(2-Chlorophenyl)methylsulfanyl]aniline?
You can request a quote for 4-[(2-Chlorophenyl)methylsulfanyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-Chlorophenyl)methylsulfanyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Chlorophenyl)methylsulfanyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.