5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one
TL;DR: 5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one (CAS 403811-55-2) is a chemical compound with molecular formula C12H11NOS2 and molecular weight 249.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: c-Myc Inhibitor, 10058-F4 compound, 5-[(4-Ethylphenyl)methylene]-2-thioxo-4-thiazolidinone, 5-(4-ethylbenzylidene)-2-thioxothiazolidin-4-one, Tox21_500046
| Molecular Formula | C12H11NOS2 |
|---|---|
| Molecular Weight | 249.03 g/mol |
| LogP | 2.7378 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.02821 |
| Heavy Atoms | 16 |
| Complexity | 462.41205 |
Chemical Identifiers
| CAS Number | 403811-55-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)S2 |
Product Overview
5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one (CAS 403811-55-2), with molecular formula C12H11NOS2 and molecular weight 249.03 g/mol. IUPAC: (5E)-5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one
Property Insights of 5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one
The XLogP value of 2.7378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one. With a topological polar surface area (TPSA) of 29.1 Ų, 5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one has 1 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 5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one?
The CAS number of 5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one is 403811-55-2.
What is the molecular formula of 5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one?
The molecular formula of 5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one is C12H11NOS2.
What is the molecular weight of 5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one?
The molecular weight of 5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one is 249.03 g/mol.
Where can I buy 5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one?
You can request a quote for 5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.