2-(Phenylamino)benzenethiol
TL;DR: 2-(Phenylamino)benzenethiol (CAS 16078-95-8) is a chemical compound with molecular formula C12H11NS and molecular weight 201.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilinobenzenethiol
Also Known As: 2-Anilinobenzenethiol, 2-(Phenylamino)benzenethiol, Benzenethiol, 2-(phenylamino)-, Benzenethiol, o-anilino-, 2-Aninyl Thiophenol
| Molecular Formula | C12H11NS |
|---|---|
| Molecular Weight | 201.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 13.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.06122 |
| Heavy Atoms | 14 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 16078-95-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=CC=C2S |
| InChIKey | HVYMDMWEXMVXDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Phenylamino)benzenethiol (CAS 16078-95-8), with molecular formula C12H11NS and molecular weight 201.06 g/mol. IUPAC: 2-anilinobenzenethiol.
Chemical Property Profile of 2-(Phenylamino)benzenethiol
Property Insights of 2-(Phenylamino)benzenethiol
The XLogP value of 3.6 indicates that 2-(Phenylamino)benzenethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.0 Ų, 2-(Phenylamino)benzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylamino)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-(Phenylamino)benzenethiol?
The CAS number of 2-(Phenylamino)benzenethiol is 16078-95-8.
What is the molecular formula of 2-(Phenylamino)benzenethiol?
The molecular formula of 2-(Phenylamino)benzenethiol is C12H11NS.
What is the molecular weight of 2-(Phenylamino)benzenethiol?
The molecular weight of 2-(Phenylamino)benzenethiol is 201.06 g/mol.
Where can I buy 2-(Phenylamino)benzenethiol?
You can request a quote for 2-(Phenylamino)benzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylamino)benzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylamino)benzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.