1-Acetyl-2-thiohydantoin
TL;DR: 1-Acetyl-2-thiohydantoin (CAS 584-26-9) is a chemical compound with molecular formula C5H6N2O2S and molecular weight 158.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acetyl-2-sulfanylideneimidazolidin-4-one
Also Known As: 1-Acetyl-2-thiohydantoin, USAF BE-0405, 1-acetyl-2-thioxoimidazolidin-4-one, 4-Imidazolidinone, 1-acetyl-2-thioxo-, 1-Acetylthiohydantoin
| Molecular Formula | C5H6N2O2S |
|---|---|
| Molecular Weight | 158.01 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.015 |
| Heavy Atoms | 10 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 584-26-9 |
|---|---|
| SMILES | CC(=O)N1CC(=O)NC1=S |
| InChIKey | DDWXNUFFAFBJDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Acetyl-2-thiohydantoin (CAS 584-26-9), with molecular formula C5H6N2O2S and molecular weight 158.01 g/mol. IUPAC: 1-acetyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 1-Acetyl-2-thiohydantoin
Property Insights of 1-Acetyl-2-thiohydantoin
The XLogP value of -0.5 indicates that 1-Acetyl-2-thiohydantoin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-2-thiohydantoin. Following Lipinski's Rule of Five, 1-Acetyl-2-thiohydantoin 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
Frequently Asked Questions
What is the CAS number of 1-Acetyl-2-thiohydantoin?
The CAS number of 1-Acetyl-2-thiohydantoin is 584-26-9.
What is the molecular formula of 1-Acetyl-2-thiohydantoin?
The molecular formula of 1-Acetyl-2-thiohydantoin is C5H6N2O2S.
What is the molecular weight of 1-Acetyl-2-thiohydantoin?
The molecular weight of 1-Acetyl-2-thiohydantoin is 158.01 g/mol.
Where can I buy 1-Acetyl-2-thiohydantoin?
You can request a quote for 1-Acetyl-2-thiohydantoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-2-thiohydantoin?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-2-thiohydantoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.