(5E)-5-(2,5-dimethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one
TL;DR: (5E)-5-(2,5-dimethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one (CAS 153567-96-5) is a chemical compound with molecular formula C12H11NOS2 and molecular weight 249.02821 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5E)-5-[(2,5-dimethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AKOS B018375, (5E)-5-(2,5-dimethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one, 4778AD, Y-1503, (E)-5-(2,5-Dimethylbenzylidene)-2-mercaptothiazol-4(5H)-one
Technical Specifications
| Molecular Formula | C12H11NOS2 |
| Molecular Weight | 249.02821 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 86.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.02821 Da |
| Heavy Atoms | 16 |
| Complexity | 351.0 |
| SMILES | CC1=CC(=C(C=C1)C)/C=C/2\C(=O)NC(=S)S2 |
| InChIKey | MAJYXNRQWPLXHB-UXBLZVDNSA-N |
Chemical Property Profile of (5E)-5-(2,5-dimethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one
Property Insights of (5E)-5-(2,5-dimethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one
The XLogP value of 3.5 indicates that (5E)-5-(2,5-dimethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-(2,5-dimethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one. Following Lipinski's Rule of Five, (5E)-5-(2,5-dimethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-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
What is the CAS number of (5E)-5-(2,5-dimethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
The CAS number of (5E)-5-(2,5-dimethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one is 153567-96-5.
What is the molecular formula of (5E)-5-(2,5-dimethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
The molecular formula of (5E)-5-(2,5-dimethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one is C12H11NOS2.
What is the molecular weight of (5E)-5-(2,5-dimethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
The molecular weight of (5E)-5-(2,5-dimethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one is 249.02821 g/mol.
Where can I buy (5E)-5-(2,5-dimethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
You can request a quote for (5E)-5-(2,5-dimethylbenzylidene)-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-dimethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
Yes, CoreyChem provides custom synthesis services for (5E)-5-(2,5-dimethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.