(E)-3-(4-chlorophenyl)-5-(4-methoxybenzylidene)-2-thioxothiazolidin-4-one
TL;DR: (E)-3-(4-chlorophenyl)-5-(4-methoxybenzylidene)-2-thioxothiazolidin-4-one (CAS 158979-76-1) is a chemical compound with molecular formula C17H12ClNO2S2 and molecular weight 360.9998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5E)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: J1.971.774G, (E)-3-(4-chlorophenyl)-5-(4-methoxybenzylidene)-2-thioxothiazolidin-4-one, 3-(4-Chlorophenyl)-5-(4-methoxybenzylidene)-2-thioxothiazolidine-4-one, (5E)-3-(4-chlorophenyl)-5-(4-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one, 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Technical Specifications
| Molecular Formula | C17H12ClNO2S2 |
| Molecular Weight | 360.9998 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 86.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.9998 Da |
| Heavy Atoms | 23 |
| Complexity | 495.0 |
| SMILES | COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC=C(C=C3)Cl |
| InChIKey | NSSYPDFXCUEPMJ-XNTDXEJSSA-N |
Chemical Property Profile of (E)-3-(4-chlorophenyl)-5-(4-methoxybenzylidene)-2-thioxothiazolidin-4-one
Property Insights of (E)-3-(4-chlorophenyl)-5-(4-methoxybenzylidene)-2-thioxothiazolidin-4-one
The XLogP value of 5.1 indicates that (E)-3-(4-chlorophenyl)-5-(4-methoxybenzylidene)-2-thioxothiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-chlorophenyl)-5-(4-methoxybenzylidene)-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, (E)-3-(4-chlorophenyl)-5-(4-methoxybenzylidene)-2-thioxothiazolidin-4-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (E)-3-(4-chlorophenyl)-5-(4-methoxybenzylidene)-2-thioxothiazolidin-4-one?
The CAS number of (E)-3-(4-chlorophenyl)-5-(4-methoxybenzylidene)-2-thioxothiazolidin-4-one is 158979-76-1.
What is the molecular formula of (E)-3-(4-chlorophenyl)-5-(4-methoxybenzylidene)-2-thioxothiazolidin-4-one?
The molecular formula of (E)-3-(4-chlorophenyl)-5-(4-methoxybenzylidene)-2-thioxothiazolidin-4-one is C17H12ClNO2S2.
What is the molecular weight of (E)-3-(4-chlorophenyl)-5-(4-methoxybenzylidene)-2-thioxothiazolidin-4-one?
The molecular weight of (E)-3-(4-chlorophenyl)-5-(4-methoxybenzylidene)-2-thioxothiazolidin-4-one is 360.9998 g/mol.
Where can I buy (E)-3-(4-chlorophenyl)-5-(4-methoxybenzylidene)-2-thioxothiazolidin-4-one?
You can request a quote for (E)-3-(4-chlorophenyl)-5-(4-methoxybenzylidene)-2-thioxothiazolidin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-(4-chlorophenyl)-5-(4-methoxybenzylidene)-2-thioxothiazolidin-4-one?
Yes, CoreyChem provides custom synthesis services for (E)-3-(4-chlorophenyl)-5-(4-methoxybenzylidene)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.