(5E)-5-(2-ethoxybenzylidene)-2-thioxo-4-imidazolidinone
TL;DR: (5E)-5-(2-ethoxybenzylidene)-2-thioxo-4-imidazolidinone (CAS 5753-08-2) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(2-ethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Also Known As: KST-1A0180, (5E)-5-(2-ethoxybenzylidene)-2-thioxo-4-imidazolidinone, (5e)-5-(2-ethoxybenzylidene)-2-thioxoimidazolidin-4-one, (5E)-5-[(2-ethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 5753-08-2 |
|---|---|
| SMILES | CCOC1=CC=CC=C1/C=C/2\C(=O)NC(=S)N2 |
| InChIKey | VYXUVUXUCMEILA-VQHVLOKHSA-N |
Product Overview
(5E)-5-(2-ethoxybenzylidene)-2-thioxo-4-imidazolidinone (CAS 5753-08-2), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: (5E)-5-[(2-ethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of (5E)-5-(2-ethoxybenzylidene)-2-thioxo-4-imidazolidinone
Property Insights of (5E)-5-(2-ethoxybenzylidene)-2-thioxo-4-imidazolidinone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-(2-ethoxybenzylidene)-2-thioxo-4-imidazolidinone. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-(2-ethoxybenzylidene)-2-thioxo-4-imidazolidinone. Following Lipinski's Rule of Five, (5E)-5-(2-ethoxybenzylidene)-2-thioxo-4-imidazolidinone has 2 hydrogen bond donor(s) and 3 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 (5E)-5-(2-ethoxybenzylidene)-2-thioxo-4-imidazolidinone?
The CAS number of (5E)-5-(2-ethoxybenzylidene)-2-thioxo-4-imidazolidinone is 5753-08-2.
What is the molecular formula of (5E)-5-(2-ethoxybenzylidene)-2-thioxo-4-imidazolidinone?
The molecular formula of (5E)-5-(2-ethoxybenzylidene)-2-thioxo-4-imidazolidinone is C12H12N2O2S.
What is the molecular weight of (5E)-5-(2-ethoxybenzylidene)-2-thioxo-4-imidazolidinone?
The molecular weight of (5E)-5-(2-ethoxybenzylidene)-2-thioxo-4-imidazolidinone is 248.06 g/mol.
Where can I buy (5E)-5-(2-ethoxybenzylidene)-2-thioxo-4-imidazolidinone?
You can request a quote for (5E)-5-(2-ethoxybenzylidene)-2-thioxo-4-imidazolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-5-(2-ethoxybenzylidene)-2-thioxo-4-imidazolidinone?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-(2-ethoxybenzylidene)-2-thioxo-4-imidazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.