(5E)-3-acetyl-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one
TL;DR: (5E)-3-acetyl-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one (CAS 351423-67-1) is a chemical compound with molecular formula C11H9N3O2S and molecular weight 247.04155 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5E)-3-acetyl-5-(pyridin-3-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
Also Known As: (5E)-3-acetyl-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one, (5E)-3-acetyl-5-(pyridin-3-ylmethylidene)-2-sulfanylideneimidazolidin-4-one, (E)-3-acetyl-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one, (5E)-3-acetyl-5-(pyridin-3-ylmethylidene)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one, (5E)-3-ACETYL-5-[(PYRIDIN-3-YL)METHYLIDENE]-2-SULFANYLIDENEIMIDAZOLIDIN-4-ONE
Technical Specifications
| Molecular Formula | C11H9N3O2S |
| Molecular Weight | 247.04155 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 94.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.04155 Da |
| Heavy Atoms | 17 |
| Complexity | 406.0 |
| SMILES | CC(=O)N1C(=O)/C(=C\C2=CN=CC=C2)/NC1=S |
| InChIKey | OSERUUXVQYDZLX-WEVVVXLNSA-N |
Chemical Property Profile of (5E)-3-acetyl-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one
Property Insights of (5E)-3-acetyl-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-3-acetyl-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one. The TPSA of 94.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-3-acetyl-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one. Following Lipinski's Rule of Five, (5E)-3-acetyl-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one has 1 hydrogen bond donor(s) and 4 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)-3-acetyl-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one?
The CAS number of (5E)-3-acetyl-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one is 351423-67-1.
What is the molecular formula of (5E)-3-acetyl-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one?
The molecular formula of (5E)-3-acetyl-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one is C11H9N3O2S.
What is the molecular weight of (5E)-3-acetyl-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one?
The molecular weight of (5E)-3-acetyl-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one is 247.04155 g/mol.
Where can I buy (5E)-3-acetyl-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one?
You can request a quote for (5E)-3-acetyl-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (5E)-3-acetyl-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one?
Yes, CoreyChem provides custom synthesis services for (5E)-3-acetyl-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.