5-{4-Nitrobenzylidene}-3-{2-nitrophenyl}-2-thioxo-1,3-thiazolidin-4-one
TL;DR: 5-{4-Nitrobenzylidene}-3-{2-nitrophenyl}-2-thioxo-1,3-thiazolidin-4-one (CAS 354784-96-6) is a chemical compound with molecular formula C16H9N3O5S2 and molecular weight 387.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-(2-nitrophenyl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-{4-nitrobenzylidene}-3-{2-nitrophenyl}-2-thioxo-1,3-thiazolidin-4-one, AN-891/13557005, (5E)-3-(2-nitrophenyl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C16H9N3O5S2 |
|---|---|
| Molecular Weight | 387.00 g/mol |
| LogP | 3.9088 |
| Topological Polar Surface Area | 106.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.99835 |
| Heavy Atoms | 26 |
| Complexity | 972.10547 |
Chemical Identifiers
| CAS Number | 354784-96-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/SC2=S)[N+](=O)[O-] |
Product Overview
5-{4-Nitrobenzylidene}-3-{2-nitrophenyl}-2-thioxo-1,3-thiazolidin-4-one (CAS 354784-96-6), with molecular formula C16H9N3O5S2 and molecular weight 387.00 g/mol. IUPAC: (5E)-3-(2-nitrophenyl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-{4-Nitrobenzylidene}-3-{2-nitrophenyl}-2-thioxo-1,3-thiazolidin-4-one
Property Insights of 5-{4-Nitrobenzylidene}-3-{2-nitrophenyl}-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 3.9088 indicates that 5-{4-Nitrobenzylidene}-3-{2-nitrophenyl}-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{4-Nitrobenzylidene}-3-{2-nitrophenyl}-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, 5-{4-Nitrobenzylidene}-3-{2-nitrophenyl}-2-thioxo-1,3-thiazolidin-4-one has 0 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 5-{4-Nitrobenzylidene}-3-{2-nitrophenyl}-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of 5-{4-Nitrobenzylidene}-3-{2-nitrophenyl}-2-thioxo-1,3-thiazolidin-4-one is 354784-96-6.
What is the molecular formula of 5-{4-Nitrobenzylidene}-3-{2-nitrophenyl}-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of 5-{4-Nitrobenzylidene}-3-{2-nitrophenyl}-2-thioxo-1,3-thiazolidin-4-one is C16H9N3O5S2.
What is the molecular weight of 5-{4-Nitrobenzylidene}-3-{2-nitrophenyl}-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of 5-{4-Nitrobenzylidene}-3-{2-nitrophenyl}-2-thioxo-1,3-thiazolidin-4-one is 387.00 g/mol.
Where can I buy 5-{4-Nitrobenzylidene}-3-{2-nitrophenyl}-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for 5-{4-Nitrobenzylidene}-3-{2-nitrophenyl}-2-thioxo-1,3-thiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{4-Nitrobenzylidene}-3-{2-nitrophenyl}-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-{4-Nitrobenzylidene}-3-{2-nitrophenyl}-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.