3-Ethyl-5-m-nitrobenzylidenerhodanine
TL;DR: 3-Ethyl-5-m-nitrobenzylidenerhodanine (CAS 37938-89-9) is a chemical compound with molecular formula C12H10N2O3S2 and molecular weight 294.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-ethyl-5-m-nitrobenzylidenerhodanine, BAS 00032215, 3-Ethyl-5-(3-nitro-benzylidene)-2-thioxo-thiazolidin-4-one, 3-ethyl-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C12H10N2O3S2 |
|---|---|
| Molecular Weight | 294.01 g/mol |
| LogP | 2.8159 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.01328 |
| Heavy Atoms | 19 |
| Complexity | 598.3922 |
Chemical Identifiers
| CAS Number | 37938-89-9 |
|---|---|
| SMILES | CCN1C(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])SC1=S |
Product Overview
3-Ethyl-5-m-nitrobenzylidenerhodanine (CAS 37938-89-9), with molecular formula C12H10N2O3S2 and molecular weight 294.01 g/mol. IUPAC: 3-ethyl-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-Ethyl-5-m-nitrobenzylidenerhodanine
Property Insights of 3-Ethyl-5-m-nitrobenzylidenerhodanine
The XLogP value of 2.8159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-5-m-nitrobenzylidenerhodanine. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-5-m-nitrobenzylidenerhodanine. Following Lipinski's Rule of Five, 3-Ethyl-5-m-nitrobenzylidenerhodanine has 0 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 3-Ethyl-5-m-nitrobenzylidenerhodanine?
The CAS number of 3-Ethyl-5-m-nitrobenzylidenerhodanine is 37938-89-9.
What is the molecular formula of 3-Ethyl-5-m-nitrobenzylidenerhodanine?
The molecular formula of 3-Ethyl-5-m-nitrobenzylidenerhodanine is C12H10N2O3S2.
What is the molecular weight of 3-Ethyl-5-m-nitrobenzylidenerhodanine?
The molecular weight of 3-Ethyl-5-m-nitrobenzylidenerhodanine is 294.01 g/mol.
Where can I buy 3-Ethyl-5-m-nitrobenzylidenerhodanine?
You can request a quote for 3-Ethyl-5-m-nitrobenzylidenerhodanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-5-m-nitrobenzylidenerhodanine?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-5-m-nitrobenzylidenerhodanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.