4-Chloro-2-(methylsulfanyl)aniline
TL;DR: 4-Chloro-2-(methylsulfanyl)aniline (CAS 29690-21-9) is a chemical compound with molecular formula C7H8ClNS and molecular weight 173.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methylsulfanylaniline
Also Known As: 4-Chloro-2-(methylsulfanyl)aniline, 2-Methylthio-4-chloroaniline, 4-chloro-2-methylsulfanylaniline, 4-chloro-2-(methylthio)benzenamine, 4-chloro-2-methylsulfanyl-aniline
| Molecular Formula | C7H8ClNS |
|---|---|
| Molecular Weight | 173.01 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.00659 |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 29690-21-9 |
|---|---|
| SMILES | CSC1=C(C=CC(=C1)Cl)N |
| InChIKey | NLHVIGLOUSDNOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-(methylsulfanyl)aniline (CAS 29690-21-9), with molecular formula C7H8ClNS and molecular weight 173.01 g/mol. IUPAC: 4-chloro-2-methylsulfanylaniline.
Chemical Property Profile of 4-Chloro-2-(methylsulfanyl)aniline
Property Insights of 4-Chloro-2-(methylsulfanyl)aniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-(methylsulfanyl)aniline. With a topological polar surface area (TPSA) of 51.3 Ų, 4-Chloro-2-(methylsulfanyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(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-Chloro-2-(methylsulfanyl)aniline?
The CAS number of 4-Chloro-2-(methylsulfanyl)aniline is 29690-21-9.
What is the molecular formula of 4-Chloro-2-(methylsulfanyl)aniline?
The molecular formula of 4-Chloro-2-(methylsulfanyl)aniline is C7H8ClNS.
What is the molecular weight of 4-Chloro-2-(methylsulfanyl)aniline?
The molecular weight of 4-Chloro-2-(methylsulfanyl)aniline is 173.01 g/mol.
Where can I buy 4-Chloro-2-(methylsulfanyl)aniline?
You can request a quote for 4-Chloro-2-(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-Chloro-2-(methylsulfanyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(methylsulfanyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.