3-Methoxy-4-(methylsulfanyl)aniline
TL;DR: 3-Methoxy-4-(methylsulfanyl)aniline (CAS 19284-92-5) is a chemical compound with molecular formula C8H11NOS and molecular weight 169.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-4-methylsulfanylaniline
Also Known As: 3-Methoxy-4-(methylsulfanyl)aniline, 3-Methoxy-4-(methylthio)aniline, 3-methoxy-4-methylsulfanylaniline, 2-Methylthio-5-amino anisole, Benzenamine, 3-methoxy-4-(methylthio)-
| Molecular Formula | C8H11NOS |
|---|---|
| Molecular Weight | 169.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 60.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.05614 |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 19284-92-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)N)SC |
| InChIKey | HGLLVRIWMKISPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxy-4-(methylsulfanyl)aniline (CAS 19284-92-5), with molecular formula C8H11NOS and molecular weight 169.06 g/mol. IUPAC: 3-methoxy-4-methylsulfanylaniline.
Chemical Property Profile of 3-Methoxy-4-(methylsulfanyl)aniline
Property Insights of 3-Methoxy-4-(methylsulfanyl)aniline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-4-(methylsulfanyl)aniline. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxy-4-(methylsulfanyl)aniline. Following Lipinski's Rule of Five, 3-Methoxy-4-(methylsulfanyl)aniline has 1 hydrogen bond donor(s) and 3 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-Methoxy-4-(methylsulfanyl)aniline?
The CAS number of 3-Methoxy-4-(methylsulfanyl)aniline is 19284-92-5.
What is the molecular formula of 3-Methoxy-4-(methylsulfanyl)aniline?
The molecular formula of 3-Methoxy-4-(methylsulfanyl)aniline is C8H11NOS.
What is the molecular weight of 3-Methoxy-4-(methylsulfanyl)aniline?
The molecular weight of 3-Methoxy-4-(methylsulfanyl)aniline is 169.06 g/mol.
Where can I buy 3-Methoxy-4-(methylsulfanyl)aniline?
You can request a quote for 3-Methoxy-4-(methylsulfanyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-4-(methylsulfanyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-4-(methylsulfanyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.