3-Amino-4-chlorobenzenethiol
TL;DR: 3-Amino-4-chlorobenzenethiol (CAS 70502-87-3) 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.
3-amino-4-chlorobenzenethiol
Also Known As: 3-amino-4-chlorobenzenethiol, 4-chloro-3-amino-thiophenol, 2-chloro-5-mercaptoaniline, benzenethiol, 3-amino-4-chloro-, 2-Chloro-5-mercapto Aniline
| Molecular Formula | C6H6ClNS |
|---|---|
| Molecular Weight | 158.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.99095 |
| Heavy Atoms | 9 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 70502-87-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1S)N)Cl |
| InChIKey | GWYXGAVKUBLXOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-4-chlorobenzenethiol (CAS 70502-87-3), with molecular formula C6H6ClNS and molecular weight 158.99 g/mol. IUPAC: 3-amino-4-chlorobenzenethiol.
Chemical Property Profile of 3-Amino-4-chlorobenzenethiol
Property Insights of 3-Amino-4-chlorobenzenethiol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-chlorobenzenethiol. With a topological polar surface area (TPSA) of 27.0 Ų, 3-Amino-4-chlorobenzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-4-chlorobenzenethiol 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-Amino-4-chlorobenzenethiol?
The CAS number of 3-Amino-4-chlorobenzenethiol is 70502-87-3.
What is the molecular formula of 3-Amino-4-chlorobenzenethiol?
The molecular formula of 3-Amino-4-chlorobenzenethiol is C6H6ClNS.
What is the molecular weight of 3-Amino-4-chlorobenzenethiol?
The molecular weight of 3-Amino-4-chlorobenzenethiol is 158.99 g/mol.
Where can I buy 3-Amino-4-chlorobenzenethiol?
You can request a quote for 3-Amino-4-chlorobenzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-4-chlorobenzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-chlorobenzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.