2-Mercapto-5-(4-nitrobenzylidene)thiazol-4(5H)-one
TL;DR: 2-Mercapto-5-(4-nitrobenzylidene)thiazol-4(5H)-one (CAS 36138-76-8) is a chemical compound with molecular formula C10H6N2O3S2 and molecular weight 265.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-bromo-2-methylphenol, 5-p-nitrobenzylidene-rhodanine, (5E)-2-mercapto-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one, 2-Mercapto-5-(4-nitrobenzylidene)thiazol-4(5H)-one, 5-[(4-nitrophenyl)methylene]-2-sulfanyl-thiazol-4-one
| Molecular Formula | C10H6N2O3S2 |
|---|---|
| Molecular Weight | 265.98 g/mol |
| LogP | 2.0836 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.982 |
| Heavy Atoms | 17 |
| Complexity | 536.98694 |
Chemical Identifiers
| CAS Number | 36138-76-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C2C(=O)NC(=S)S2)[N+](=O)[O-] |
Product Overview
2-Mercapto-5-(4-nitrobenzylidene)thiazol-4(5H)-one (CAS 36138-76-8), with molecular formula C10H6N2O3S2 and molecular weight 265.98 g/mol. IUPAC: 5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 2-Mercapto-5-(4-nitrobenzylidene)thiazol-4(5H)-one
Property Insights of 2-Mercapto-5-(4-nitrobenzylidene)thiazol-4(5H)-one
The XLogP value of 2.0836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercapto-5-(4-nitrobenzylidene)thiazol-4(5H)-one. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Mercapto-5-(4-nitrobenzylidene)thiazol-4(5H)-one. Following Lipinski's Rule of Five, 2-Mercapto-5-(4-nitrobenzylidene)thiazol-4(5H)-one has 1 hydrogen bond donor(s) and 5 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-Mercapto-5-(4-nitrobenzylidene)thiazol-4(5H)-one?
The CAS number of 2-Mercapto-5-(4-nitrobenzylidene)thiazol-4(5H)-one is 36138-76-8.
What is the molecular formula of 2-Mercapto-5-(4-nitrobenzylidene)thiazol-4(5H)-one?
The molecular formula of 2-Mercapto-5-(4-nitrobenzylidene)thiazol-4(5H)-one is C10H6N2O3S2.
What is the molecular weight of 2-Mercapto-5-(4-nitrobenzylidene)thiazol-4(5H)-one?
The molecular weight of 2-Mercapto-5-(4-nitrobenzylidene)thiazol-4(5H)-one is 265.98 g/mol.
Where can I buy 2-Mercapto-5-(4-nitrobenzylidene)thiazol-4(5H)-one?
You can request a quote for 2-Mercapto-5-(4-nitrobenzylidene)thiazol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-5-(4-nitrobenzylidene)thiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-5-(4-nitrobenzylidene)thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.