5-Chloro-2-(3-chlorophenyl)sulfanylaniline
TL;DR: 5-Chloro-2-(3-chlorophenyl)sulfanylaniline (CAS 105836-85-9) is a chemical compound with molecular formula C12H9Cl2NS and molecular weight 268.98328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-2-(3-chlorophenyl)sulfanylaniline
Also Known As: 5-chloro-2-(3-chloro-phenylsulfanyl)-aniline, 5-chloro-2-(3-chlorophenyl)sulfanylaniline, 5-chloro-2-(3-chlorophenyl)sulfanyl-aniline
Technical Specifications
| Molecular Formula | C12H9Cl2NS |
| Molecular Weight | 268.98328 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.98328 Da |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
| SMILES | C1=CC(=CC(=C1)Cl)SC2=C(C=C(C=C2)Cl)N |
| InChIKey | VNRBQTXPFAIXMO-UHFFFAOYSA-N |
Chemical Property Profile of 5-Chloro-2-(3-chlorophenyl)sulfanylaniline
Property Insights of 5-Chloro-2-(3-chlorophenyl)sulfanylaniline
The XLogP value of 4.6 indicates that 5-Chloro-2-(3-chlorophenyl)sulfanylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, 5-Chloro-2-(3-chlorophenyl)sulfanylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-(3-chlorophenyl)sulfanylaniline 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 5-Chloro-2-(3-chlorophenyl)sulfanylaniline?
The CAS number of 5-Chloro-2-(3-chlorophenyl)sulfanylaniline is 105836-85-9.
What is the molecular formula of 5-Chloro-2-(3-chlorophenyl)sulfanylaniline?
The molecular formula of 5-Chloro-2-(3-chlorophenyl)sulfanylaniline is C12H9Cl2NS.
What is the molecular weight of 5-Chloro-2-(3-chlorophenyl)sulfanylaniline?
The molecular weight of 5-Chloro-2-(3-chlorophenyl)sulfanylaniline is 268.98328 g/mol.
Where can I buy 5-Chloro-2-(3-chlorophenyl)sulfanylaniline?
You can request a quote for 5-Chloro-2-(3-chlorophenyl)sulfanylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloro-2-(3-chlorophenyl)sulfanylaniline?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-2-(3-chlorophenyl)sulfanylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.