5-(1-Hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one
TL;DR: 5-(1-Hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one (CAS 5789-21-9) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-hydroxyethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
Also Known As: PTH-DL-Threonine, Pth-threonine, Phenylthiohydantoin-threonine, 5-(1-Hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one, EINECS 227-321-0
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 0.6571 |
| Topological Polar Surface Area | 52.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 419.25256 |
Chemical Identifiers
| CAS Number | 5789-21-9 |
|---|---|
| SMILES | CC(C1C(=O)N(C(=S)N1)C2=CC=CC=C2)O |
Product Overview
5-(1-Hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one (CAS 5789-21-9), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: 5-(1-hydroxyethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 5-(1-Hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one
Property Insights of 5-(1-Hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one
The XLogP value of 0.6571 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-Hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one. With a topological polar surface area (TPSA) of 52.57 Ų, 5-(1-Hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1-Hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(1-Hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one?
The CAS number of 5-(1-Hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one is 5789-21-9.
What is the molecular formula of 5-(1-Hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one?
The molecular formula of 5-(1-Hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one is C11H12N2O2S.
What is the molecular weight of 5-(1-Hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one?
The molecular weight of 5-(1-Hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one is 236.06 g/mol.
Where can I buy 5-(1-Hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one?
You can request a quote for 5-(1-Hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1-Hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-Hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.