3-Chloro-4-(methylthio)aniline
TL;DR: 3-Chloro-4-(methylthio)aniline (CAS 5211-01-8) 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.
3-chloro-4-methylsulfanylaniline
Also Known As: 3-Chloro-4-(methylthio)aniline, 3-chloro-4-(methylsulfanyl)aniline, 3-Chloro-4-methylsulfanyl-aniline, 3-chloro-4-methylsulfanylaniline, 4-Amino-2-chlorothioanisole
| Molecular Formula | C7H8ClNS |
|---|---|
| Molecular Weight | 173.01 g/mol |
| LogP | 2.6 |
| 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 | 5211-01-8 |
|---|---|
| SMILES | CSC1=C(C=C(C=C1)N)Cl |
| InChIKey | AIUFATMGALKMOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-4-(methylthio)aniline (CAS 5211-01-8), with molecular formula C7H8ClNS and molecular weight 173.01 g/mol. IUPAC: 3-chloro-4-methylsulfanylaniline.
Chemical Property Profile of 3-Chloro-4-(methylthio)aniline
Property Insights of 3-Chloro-4-(methylthio)aniline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-(methylthio)aniline. With a topological polar surface area (TPSA) of 51.3 Ų, 3-Chloro-4-(methylthio)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-(methylthio)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 3-Chloro-4-(methylthio)aniline?
The CAS number of 3-Chloro-4-(methylthio)aniline is 5211-01-8.
What is the molecular formula of 3-Chloro-4-(methylthio)aniline?
The molecular formula of 3-Chloro-4-(methylthio)aniline is C7H8ClNS.
What is the molecular weight of 3-Chloro-4-(methylthio)aniline?
The molecular weight of 3-Chloro-4-(methylthio)aniline is 173.01 g/mol.
Where can I buy 3-Chloro-4-(methylthio)aniline?
You can request a quote for 3-Chloro-4-(methylthio)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-(methylthio)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(methylthio)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.