5-m-Nitrobenzylidenerhodanine
TL;DR: 5-m-Nitrobenzylidenerhodanine (CAS 1134203-12-5) 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.
5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: ATPase-IN-3, 5-m-nitrobenzylidenerhodanine, 5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-thiazolidin-4-one, (5E)-2-MERCAPTO-5-(3-NITROBENZYLIDENE)-1,3-THIAZOL-4(5H)-ONE, 5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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 | 403.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=C2C(=O)NC(=S)S2 |
| InChIKey | AVXJAQDWWJILLN-UHFFFAOYSA-N |
Chemical Property Profile of 5-m-Nitrobenzylidenerhodanine
Property Insights of 5-m-Nitrobenzylidenerhodanine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-m-Nitrobenzylidenerhodanine. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-m-Nitrobenzylidenerhodanine. Following Lipinski's Rule of Five, 5-m-Nitrobenzylidenerhodanine 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 5-m-Nitrobenzylidenerhodanine?
The CAS number of 5-m-Nitrobenzylidenerhodanine is 1134203-12-5.
What is the molecular formula of 5-m-Nitrobenzylidenerhodanine?
The molecular formula of 5-m-Nitrobenzylidenerhodanine is C10H6N2O3S2.
What is the molecular weight of 5-m-Nitrobenzylidenerhodanine?
The molecular weight of 5-m-Nitrobenzylidenerhodanine is 265.982 g/mol.
Where can I buy 5-m-Nitrobenzylidenerhodanine?
You can request a quote for 5-m-Nitrobenzylidenerhodanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-m-Nitrobenzylidenerhodanine?
Yes, CoreyChem provides custom synthesis services for 5-m-Nitrobenzylidenerhodanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.