(5E)-2-mercapto-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one
TL;DR: (5E)-2-mercapto-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one (CAS 1134203-13-6) is a chemical compound with molecular formula C10H6N2O3S2 and molecular weight 265.982 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5E)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: Corosolicacid, (5E)-2-mercapto-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one, (5Z)-5-(p-Nitrobenzylidene)rhodanine, Rhodanine, 5-(p-nitrobenzylidene)-, J3.429.703G
Technical Specifications
| Molecular Formula | C10H6N2O3S2 |
| Molecular Weight | 265.982 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.982 Da |
| Heavy Atoms | 17 |
| Complexity | 395.0 |
| SMILES | C1=CC(=CC=C1/C=C/2\C(=O)NC(=S)S2)[N+](=O)[O-] |
| InChIKey | FRWNAQDBODEVAL-VMPITWQZSA-N |
Chemical Property Profile of (5E)-2-mercapto-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one
Property Insights of (5E)-2-mercapto-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-2-mercapto-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-2-mercapto-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one. Following Lipinski's Rule of Five, (5E)-2-mercapto-5-(4-nitrobenzylidene)-1,3-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
What is the CAS number of (5E)-2-mercapto-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one?
The CAS number of (5E)-2-mercapto-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one is 1134203-13-6.
What is the molecular formula of (5E)-2-mercapto-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one?
The molecular formula of (5E)-2-mercapto-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one is C10H6N2O3S2.
What is the molecular weight of (5E)-2-mercapto-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one?
The molecular weight of (5E)-2-mercapto-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one is 265.982 g/mol.
Where can I buy (5E)-2-mercapto-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one?
You can request a quote for (5E)-2-mercapto-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (5E)-2-mercapto-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one?
Yes, CoreyChem provides custom synthesis services for (5E)-2-mercapto-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.