5-Amino-2-chlorobenzene-1-thiol
TL;DR: 5-Amino-2-chlorobenzene-1-thiol (CAS 97094-83-2) is a chemical compound with molecular formula C6H6ClNS and molecular weight 158.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-chlorobenzenethiol
Also Known As: 5-amino-2-chlorobenzenethiol, 5-amino-2-chlorobenzene-1-thiol, 2-chloro-5-aminothiophenol, 5-amino-2-chloro-benzenethiol, 835-056-2
| Molecular Formula | C6H6ClNS |
|---|---|
| Molecular Weight | 158.99 g/mol |
| LogP | 2.2109 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.99095 |
| Heavy Atoms | 9 |
| Complexity | 224.29788 |
Chemical Identifiers
| CAS Number | 97094-83-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)S)Cl |
Product Overview
5-Amino-2-chlorobenzene-1-thiol (CAS 97094-83-2), with molecular formula C6H6ClNS and molecular weight 158.99 g/mol. IUPAC: 5-amino-2-chlorobenzenethiol.
Chemical Property Profile of 5-Amino-2-chlorobenzene-1-thiol
Property Insights of 5-Amino-2-chlorobenzene-1-thiol
The XLogP value of 2.2109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-2-chlorobenzene-1-thiol. With a topological polar surface area (TPSA) of 26.02 Ų, 5-Amino-2-chlorobenzene-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-2-chlorobenzene-1-thiol 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 5-Amino-2-chlorobenzene-1-thiol?
The CAS number of 5-Amino-2-chlorobenzene-1-thiol is 97094-83-2.
What is the molecular formula of 5-Amino-2-chlorobenzene-1-thiol?
The molecular formula of 5-Amino-2-chlorobenzene-1-thiol is C6H6ClNS.
What is the molecular weight of 5-Amino-2-chlorobenzene-1-thiol?
The molecular weight of 5-Amino-2-chlorobenzene-1-thiol is 158.99 g/mol.
Where can I buy 5-Amino-2-chlorobenzene-1-thiol?
You can request a quote for 5-Amino-2-chlorobenzene-1-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-2-chlorobenzene-1-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-2-chlorobenzene-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.