2-Nitro-5-thiosulfobenzoic acid
TL;DR: 2-Nitro-5-thiosulfobenzoic acid (CAS 90577-18-7) is a chemical compound with molecular formula C7H3NNa2O7S2 and molecular weight 322.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-nitro-5-sulfonatosulfanylbenzoate
Also Known As: NTSB, 2-Nitro-5-thiosulfobenzoic acid, 2-Nitro-5-thiosulfobenzoate sodium, disodium 2-nitro-5-(sulfonatosulfanyl)benzoate, 4-iodo-1-(4-methoxybenzyl)-1H-pyrazole
| Molecular Formula | C7H3NNa2O7S2 |
|---|---|
| Molecular Weight | 322.91 g/mol |
| LogP | -6.4814 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.91464 |
| Heavy Atoms | 19 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 90577-18-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1SS(=O)(=O)[O-])C(=O)[O-])[N+](=O)[O-].[Na+].[Na+] |
| InChIKey | JTIJZYSPRDTGGH-UHFFFAOYSA-L |
Product Overview
2-Nitro-5-thiosulfobenzoic acid (CAS 90577-18-7), with molecular formula C7H3NNa2O7S2 and molecular weight 322.91 g/mol. IUPAC: disodium;2-nitro-5-sulfonatosulfanylbenzoate.
Chemical Property Profile of 2-Nitro-5-thiosulfobenzoic acid
Property Insights of 2-Nitro-5-thiosulfobenzoic acid
The XLogP value of -6.4814 indicates that 2-Nitro-5-thiosulfobenzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 177.0 Ų indicates high polarity, suggesting 2-Nitro-5-thiosulfobenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Nitro-5-thiosulfobenzoic acid has 0 hydrogen bond donor(s) and 8 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-Nitro-5-thiosulfobenzoic acid?
The CAS number of 2-Nitro-5-thiosulfobenzoic acid is 90577-18-7.
What is the molecular formula of 2-Nitro-5-thiosulfobenzoic acid?
The molecular formula of 2-Nitro-5-thiosulfobenzoic acid is C7H3NNa2O7S2.
What is the molecular weight of 2-Nitro-5-thiosulfobenzoic acid?
The molecular weight of 2-Nitro-5-thiosulfobenzoic acid is 322.91 g/mol.
Where can I buy 2-Nitro-5-thiosulfobenzoic acid?
You can request a quote for 2-Nitro-5-thiosulfobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-5-thiosulfobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-5-thiosulfobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.