5-(2-Methylbenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one
TL;DR: 5-(2-Methylbenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one (CAS 13109-85-8) is a chemical compound with molecular formula C17H14N2OS and molecular weight 294.08267 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[(2-methylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
Also Known As: 5-(2-Methylbenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one
Technical Specifications
| Molecular Formula | C17H14N2OS |
| Molecular Weight | 294.08267 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.08267 Da |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
| SMILES | CC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)N2)C3=CC=CC=C3 |
| InChIKey | DWUSLSMNZCFNME-PTNGSMBKSA-N |
Chemical Property Profile of 5-(2-Methylbenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one
Property Insights of 5-(2-Methylbenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one
The XLogP value of 3.8 indicates that 5-(2-Methylbenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Methylbenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one. Following Lipinski's Rule of Five, 5-(2-Methylbenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(2-Methylbenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one?
The CAS number of 5-(2-Methylbenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one is 13109-85-8.
What is the molecular formula of 5-(2-Methylbenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one?
The molecular formula of 5-(2-Methylbenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one is C17H14N2OS.
What is the molecular weight of 5-(2-Methylbenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one?
The molecular weight of 5-(2-Methylbenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one is 294.08267 g/mol.
Where can I buy 5-(2-Methylbenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one?
You can request a quote for 5-(2-Methylbenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(2-Methylbenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one?
Yes, CoreyChem provides custom synthesis services for 5-(2-Methylbenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.