2-(Methylamino)benzenethiol
TL;DR: 2-(Methylamino)benzenethiol (CAS 21749-63-3) 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.
2-(methylamino)benzenethiol
Also Known As: 2-(methylamino)benzenethiol, 2-methylaminobenzenethiol, N-methyl-o-aminothiophenol, 2-(methylamino)-thiophenol, N-methyl-2-aminothiophenole
| Molecular Formula | C7H9NS |
|---|---|
| Molecular Weight | 139.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 13.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.04558 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 21749-63-3 |
|---|---|
| SMILES | CNC1=CC=CC=C1S |
| InChIKey | IZGADWSEDZVYHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Methylamino)benzenethiol (CAS 21749-63-3), with molecular formula C7H9NS and molecular weight 139.05 g/mol. IUPAC: 2-(methylamino)benzenethiol.
Chemical Property Profile of 2-(Methylamino)benzenethiol
Property Insights of 2-(Methylamino)benzenethiol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylamino)benzenethiol. With a topological polar surface area (TPSA) of 13.0 Ų, 2-(Methylamino)benzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylamino)benzenethiol has 2 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 2-(Methylamino)benzenethiol?
The CAS number of 2-(Methylamino)benzenethiol is 21749-63-3.
What is the molecular formula of 2-(Methylamino)benzenethiol?
The molecular formula of 2-(Methylamino)benzenethiol is C7H9NS.
What is the molecular weight of 2-(Methylamino)benzenethiol?
The molecular weight of 2-(Methylamino)benzenethiol is 139.05 g/mol.
Where can I buy 2-(Methylamino)benzenethiol?
You can request a quote for 2-(Methylamino)benzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylamino)benzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylamino)benzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.