Benzenethiol, 2-amino-4-nitro-, monosodium salt
TL;DR: Benzenethiol, 2-amino-4-nitro-, monosodium salt (CAS 55720-21-3) is a chemical compound with molecular formula C6H5N2NaO2S and molecular weight 192.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-amino-4-nitrobenzenethiolate
Also Known As: sodium;2-amino-4-nitrobenzenethiolate, Benzenethiol, 2-amino-4-nitro-, monosodium salt, sodium 2-amino-4-nitrobenzenethiolate, sodium 2-amino-4-nitrothiophenoxide, 2-Amino-4-nitrobenzenethiol monosodium salt
| Molecular Formula | C6H5N2NaO2S |
|---|---|
| Molecular Weight | 192.00 g/mol |
| LogP | -1.9132 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.99695 |
| Heavy Atoms | 12 |
| Complexity | 305.5996 |
Chemical Identifiers
| CAS Number | 55720-21-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])N)[S-].[Na+] |
Product Overview
Benzenethiol, 2-amino-4-nitro-, monosodium salt (CAS 55720-21-3), with molecular formula C6H5N2NaO2S and molecular weight 192.00 g/mol. IUPAC: sodium 2-amino-4-nitrobenzenethiolate.
Chemical Property Profile of Benzenethiol, 2-amino-4-nitro-, monosodium salt
Property Insights of Benzenethiol, 2-amino-4-nitro-, monosodium salt
The XLogP value of -1.9132 indicates that Benzenethiol, 2-amino-4-nitro-, monosodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenethiol, 2-amino-4-nitro-, monosodium salt. Following Lipinski's Rule of Five, Benzenethiol, 2-amino-4-nitro-, monosodium salt has 1 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 Benzenethiol, 2-amino-4-nitro-, monosodium salt?
The CAS number of Benzenethiol, 2-amino-4-nitro-, monosodium salt is 55720-21-3.
What is the molecular formula of Benzenethiol, 2-amino-4-nitro-, monosodium salt?
The molecular formula of Benzenethiol, 2-amino-4-nitro-, monosodium salt is C6H5N2NaO2S.
What is the molecular weight of Benzenethiol, 2-amino-4-nitro-, monosodium salt?
The molecular weight of Benzenethiol, 2-amino-4-nitro-, monosodium salt is 192.00 g/mol.
Where can I buy Benzenethiol, 2-amino-4-nitro-, monosodium salt?
You can request a quote for Benzenethiol, 2-amino-4-nitro-, monosodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenethiol, 2-amino-4-nitro-, monosodium salt?
Yes, KEHONG BIO provides custom synthesis services for Benzenethiol, 2-amino-4-nitro-, monosodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.