![4-[(4-Chlorobenzyl)sulfanyl]aniline structure](/static/products/1039/103977-34-0.webp)
4-[(4-Chlorobenzyl)sulfanyl]aniline
TL;DR: 4-[(4-Chlorobenzyl)sulfanyl]aniline (CAS 103977-34-0) is a chemical compound with molecular formula C13H12ClNS and molecular weight 249.0379 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-chlorophenyl)methylsulfanyl]aniline
Also Known As: 4-[(4-chlorobenzyl)sulfanyl]aniline, 4-((4-Chlorobenzyl)thio)aniline, 4-[(4-chlorophenyl)methylsulfanyl]aniline, JS-213C, 4-{[(4-chlorophenyl)methyl]sulfanyl}aniline
Technical Specifications
| Molecular Formula | C13H12ClNS |
| Molecular Weight | 249.0379 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.0379 Da |
| Heavy Atoms | 16 |
| Complexity | 196.0 |
| SMILES | C1=CC(=CC=C1CSC2=CC=C(C=C2)N)Cl |
| InChIKey | QXVCMXMHZFXHSG-UHFFFAOYSA-N |
Chemical Property Profile of 4-[(4-Chlorobenzyl)sulfanyl]aniline
Property Insights of 4-[(4-Chlorobenzyl)sulfanyl]aniline
The XLogP value of 3.9 indicates that 4-[(4-Chlorobenzyl)sulfanyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, 4-[(4-Chlorobenzyl)sulfanyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(4-Chlorobenzyl)sulfanyl]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
What is the CAS number of 4-[(4-Chlorobenzyl)sulfanyl]aniline?
The CAS number of 4-[(4-Chlorobenzyl)sulfanyl]aniline is 103977-34-0.
What is the molecular formula of 4-[(4-Chlorobenzyl)sulfanyl]aniline?
The molecular formula of 4-[(4-Chlorobenzyl)sulfanyl]aniline is C13H12ClNS.
What is the molecular weight of 4-[(4-Chlorobenzyl)sulfanyl]aniline?
The molecular weight of 4-[(4-Chlorobenzyl)sulfanyl]aniline is 249.0379 g/mol.
Where can I buy 4-[(4-Chlorobenzyl)sulfanyl]aniline?
You can request a quote for 4-[(4-Chlorobenzyl)sulfanyl]aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[(4-Chlorobenzyl)sulfanyl]aniline?
Yes, CoreyChem provides custom synthesis services for 4-[(4-Chlorobenzyl)sulfanyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.