3-Phenyl-1-(prop-2-en-1-yl)-2-thioxoimidazolidin-4-one
TL;DR: 3-Phenyl-1-(prop-2-en-1-yl)-2-thioxoimidazolidin-4-one (CAS 438538-62-6) is a chemical compound with molecular formula C12H12N2OS and molecular weight 232.06703 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenyl-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
Also Known As: 3-phenyl-1-(prop-2-en-1-yl)-2-thioxoimidazolidin-4-one, 1-ALLYL-3-PHENYL-2-THIOXO-IMIDAZOLIDIN-4-ONE, 3-phenyl-1-prop-2-enyl-2-thioxo-1,3-diazolidin-4-one, 3-phenyl-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-one, 3-phenyl-1-(prop-2-en-1-yl)-2-sulfanylideneimidazolidin-4-one
Technical Specifications
| Molecular Formula | C12H12N2OS |
| Molecular Weight | 232.06703 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 55.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.06703 Da |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
| SMILES | C=CCN1CC(=O)N(C1=S)C2=CC=CC=C2 |
| InChIKey | DDFHUBUSROEQQY-UHFFFAOYSA-N |
Chemical Property Profile of 3-Phenyl-1-(prop-2-en-1-yl)-2-thioxoimidazolidin-4-one
Property Insights of 3-Phenyl-1-(prop-2-en-1-yl)-2-thioxoimidazolidin-4-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-1-(prop-2-en-1-yl)-2-thioxoimidazolidin-4-one. With a topological polar surface area (TPSA) of 55.6 Ų, 3-Phenyl-1-(prop-2-en-1-yl)-2-thioxoimidazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-1-(prop-2-en-1-yl)-2-thioxoimidazolidin-4-one has 0 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 3-Phenyl-1-(prop-2-en-1-yl)-2-thioxoimidazolidin-4-one?
The CAS number of 3-Phenyl-1-(prop-2-en-1-yl)-2-thioxoimidazolidin-4-one is 438538-62-6.
What is the molecular formula of 3-Phenyl-1-(prop-2-en-1-yl)-2-thioxoimidazolidin-4-one?
The molecular formula of 3-Phenyl-1-(prop-2-en-1-yl)-2-thioxoimidazolidin-4-one is C12H12N2OS.
What is the molecular weight of 3-Phenyl-1-(prop-2-en-1-yl)-2-thioxoimidazolidin-4-one?
The molecular weight of 3-Phenyl-1-(prop-2-en-1-yl)-2-thioxoimidazolidin-4-one is 232.06703 g/mol.
Where can I buy 3-Phenyl-1-(prop-2-en-1-yl)-2-thioxoimidazolidin-4-one?
You can request a quote for 3-Phenyl-1-(prop-2-en-1-yl)-2-thioxoimidazolidin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Phenyl-1-(prop-2-en-1-yl)-2-thioxoimidazolidin-4-one?
Yes, CoreyChem provides custom synthesis services for 3-Phenyl-1-(prop-2-en-1-yl)-2-thioxoimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.