Benzenamine, 3-(methylthio)-
TL;DR: Benzenamine, 3-(methylthio)- (CAS 1783-81-9) is a chemical compound with molecular formula C7H9NS and molecular weight 139.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanylaniline
Also Known As: 3-(Methylthio)aniline, 3-Aminothioanisole, m-Aminothioanisole, Benzenamine, 3-(methylthio)-, m-(Methylthio)aniline
| Molecular Formula | C7H9NS |
|---|---|
| Molecular Weight | 139.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.04558 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 1783-81-9 |
|---|---|
| SMILES | CSC1=CC=CC(=C1)N |
| InChIKey | KCHLDNLIJVSRPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenamine, 3-(methylthio)- (CAS 1783-81-9), with molecular formula C7H9NS and molecular weight 139.05 g/mol. IUPAC: 3-methylsulfanylaniline.
Chemical Property Profile of Benzenamine, 3-(methylthio)-
Property Insights of Benzenamine, 3-(methylthio)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, 3-(methylthio)-. With a topological polar surface area (TPSA) of 51.3 Ų, Benzenamine, 3-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 3-(methylthio)- 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 Benzenamine, 3-(methylthio)-?
The CAS number of Benzenamine, 3-(methylthio)- is 1783-81-9.
What is the molecular formula of Benzenamine, 3-(methylthio)-?
The molecular formula of Benzenamine, 3-(methylthio)- is C7H9NS.
What is the molecular weight of Benzenamine, 3-(methylthio)-?
The molecular weight of Benzenamine, 3-(methylthio)- is 139.05 g/mol.
Where can I buy Benzenamine, 3-(methylthio)-?
You can request a quote for Benzenamine, 3-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 3-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 3-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.