2-Amino-4-nitrobenzenethiol
TL;DR: 2-Amino-4-nitrobenzenethiol (CAS 7686-29-5) is a chemical compound with molecular formula C6H6N2O2S and molecular weight 170.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-nitrobenzenethiol
Also Known As: 2-amino-4-nitrobenzenethiol, 2-Amino-4-nitrobenzene-1-thiol, 2-amino-4-nitrothiophenol, 2-amino-4-nitro-benzenethiol, Benzenethiol, 2-amino-4-nitro-
| Molecular Formula | C6H6N2O2S |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | 1.4657 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.015 |
| Heavy Atoms | 11 |
| Complexity | 300.6338 |
Chemical Identifiers
| CAS Number | 7686-29-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])N)S |
Product Overview
2-Amino-4-nitrobenzenethiol (CAS 7686-29-5), with molecular formula C6H6N2O2S and molecular weight 170.01 g/mol. IUPAC: 2-amino-4-nitrobenzenethiol.
Chemical Property Profile of 2-Amino-4-nitrobenzenethiol
Property Insights of 2-Amino-4-nitrobenzenethiol
The XLogP value of 1.4657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4-nitrobenzenethiol. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-nitrobenzenethiol. Following Lipinski's Rule of Five, 2-Amino-4-nitrobenzenethiol has 2 hydrogen bond donor(s) and 4 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-Amino-4-nitrobenzenethiol?
The CAS number of 2-Amino-4-nitrobenzenethiol is 7686-29-5.
What is the molecular formula of 2-Amino-4-nitrobenzenethiol?
The molecular formula of 2-Amino-4-nitrobenzenethiol is C6H6N2O2S.
What is the molecular weight of 2-Amino-4-nitrobenzenethiol?
The molecular weight of 2-Amino-4-nitrobenzenethiol is 170.01 g/mol.
Where can I buy 2-Amino-4-nitrobenzenethiol?
You can request a quote for 2-Amino-4-nitrobenzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4-nitrobenzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-nitrobenzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.