(5E)-5-(2,5-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one
TL;DR: (5E)-5-(2,5-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one (CAS 127378-17-0) is a chemical compound with molecular formula C12H11NO3S2 and molecular weight 281.01804 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5E)-5-(2,5-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one, 3437AD, BAS 00660658, Y-1481, 5-(2,5-Dimethoxy-benzylidene)-2-thioxo-thiazolidin-4-one
Technical Specifications
| Molecular Formula | C12H11NO3S2 |
| Molecular Weight | 281.01804 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.01804 Da |
| Heavy Atoms | 18 |
| Complexity | 384.0 |
| SMILES | COC1=CC(=C(C=C1)OC)/C=C/2\C(=O)NC(=S)S2 |
| InChIKey | WEDXIWUKUHJGIR-UXBLZVDNSA-N |
Chemical Property Profile of (5E)-5-(2,5-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one
Property Insights of (5E)-5-(2,5-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-(2,5-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-(2,5-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one. Following Lipinski's Rule of Five, (5E)-5-(2,5-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one 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 (5E)-5-(2,5-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
The CAS number of (5E)-5-(2,5-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one is 127378-17-0.
What is the molecular formula of (5E)-5-(2,5-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
The molecular formula of (5E)-5-(2,5-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one is C12H11NO3S2.
What is the molecular weight of (5E)-5-(2,5-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
The molecular weight of (5E)-5-(2,5-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one is 281.01804 g/mol.
Where can I buy (5E)-5-(2,5-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
You can request a quote for (5E)-5-(2,5-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (5E)-5-(2,5-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
Yes, CoreyChem provides custom synthesis services for (5E)-5-(2,5-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.