(Z)-2-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid
TL;DR: (Z)-2-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid (CAS 868148-04-3) is a chemical compound with molecular formula C12H10N2O6S3 and molecular weight 373.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
Also Known As: F1691-2024, 2-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethane-1-sulfonic acid, (Z)-2-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid, 2-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid, 2-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}ethanesulf onic acid
| Molecular Formula | C12H10N2O6S3 |
|---|---|
| Molecular Weight | 373.97 g/mol |
| LogP | 1.6838 |
| Topological Polar Surface Area | 117.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.9701 |
| Heavy Atoms | 23 |
| Complexity | 800.58984 |
Chemical Identifiers
| CAS Number | 868148-04-3 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCS(=O)(=O)O)[N+](=O)[O-] |
Product Overview
(Z)-2-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid (CAS 868148-04-3), with molecular formula C12H10N2O6S3 and molecular weight 373.97 g/mol. IUPAC: 2-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid.
Chemical Property Profile of (Z)-2-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid
Property Insights of (Z)-2-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid
The XLogP value of 1.6838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-2-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid. The TPSA of 117.82 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid. Following Lipinski's Rule of Five, (Z)-2-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid has 1 hydrogen bond donor(s) and 7 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 (Z)-2-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid?
The CAS number of (Z)-2-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid is 868148-04-3.
What is the molecular formula of (Z)-2-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid?
The molecular formula of (Z)-2-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid is C12H10N2O6S3.
What is the molecular weight of (Z)-2-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid?
The molecular weight of (Z)-2-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid is 373.97 g/mol.
Where can I buy (Z)-2-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid?
You can request a quote for (Z)-2-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.