3-Aminothiophenol
TL;DR: 3-Aminothiophenol (CAS 22948-02-3) is a chemical compound with molecular formula C6H7NS and molecular weight 125.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-aminobenzenethiol
Also Known As: 3-Aminothiophenol, 3-AMINOBENZENETHIOL, Benzenethiol, 3-amino-, 3-Mercaptoaniline, m-aminothiophenol
| Molecular Formula | C6H7NS |
|---|---|
| Molecular Weight | 125.03 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 125.02992 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 22948-02-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S)N |
| InChIKey | KFFUEVDMVNIOHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Aminothiophenol (CAS 22948-02-3), with molecular formula C6H7NS and molecular weight 125.03 g/mol. IUPAC: 3-aminobenzenethiol.
Chemical Property Profile of 3-Aminothiophenol
Property Insights of 3-Aminothiophenol
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Aminothiophenol. With a topological polar surface area (TPSA) of 27.0 Ų, 3-Aminothiophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Aminothiophenol 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 3-Aminothiophenol?
The CAS number of 3-Aminothiophenol is 22948-02-3.
What is the molecular formula of 3-Aminothiophenol?
The molecular formula of 3-Aminothiophenol is C6H7NS.
What is the molecular weight of 3-Aminothiophenol?
The molecular weight of 3-Aminothiophenol is 125.03 g/mol.
Where can I buy 3-Aminothiophenol?
You can request a quote for 3-Aminothiophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aminothiophenol?
Yes, KEHONG BIO provides custom synthesis services for 3-Aminothiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.