硫代巴比脲酸
TL;DR: 硫代巴比脲酸 (CAS 496-89-9) is a chemical compound with molecular formula C3H2N2O2S and molecular weight 129.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代巴比脲酸
2-sulfanylideneimidazolidine-4,5-dione
Also Known As: 2-thioxo-4,5-Imidazolidinedione, thioparabanic acid, o-Bromophenylurea, 2-Thioxoimidazolidine-4,5-dione, 2-sulfanylideneimidazolidine-4,5-dione
| Molecular Formula | C3H2N2O2S |
|---|---|
| Molecular Weight | 129.98 g/mol |
| LogP | -1.4827 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 129.9837 |
| Heavy Atoms | 8 |
| Complexity | 158.12224 |
Chemical Identifiers
| CAS Number | 496-89-9 |
|---|---|
| SMILES | C1(=O)C(=O)NC(=S)N1 |
Product Overview
硫代巴比脲酸 (CAS 496-89-9), with molecular formula C3H2N2O2S and molecular weight 129.98 g/mol. IUPAC: 2-sulfanylideneimidazolidine-4,5-dione.
Chemical Property Profile of 硫代巴比脲酸
Property Insights of 硫代巴比脲酸
The XLogP value of -1.4827 indicates that 硫代巴比脲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.2 Ų, 硫代巴比脲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫代巴比脲酸 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 硫代巴比脲酸?
The CAS number of 硫代巴比脲酸 is 496-89-9.
What is the molecular formula of 硫代巴比脲酸?
The molecular formula of 硫代巴比脲酸 is C3H2N2O2S.
What is the molecular weight of 硫代巴比脲酸?
The molecular weight of 硫代巴比脲酸 is 129.98 g/mol.
Where can I buy 硫代巴比脲酸?
You can request a quote for 硫代巴比脲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代巴比脲酸?
Yes, KEHONG BIO provides custom synthesis services for 硫代巴比脲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.