硫代巴比妥酸
TL;DR: 硫代巴比妥酸 (CAS 15998-99-9) is a chemical compound with molecular formula C4H4N2O2S and molecular weight 144.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代巴比妥酸
2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 2-THIOBARBITURIC ACID, Thiobarbituric acid, Bathyran, Austranal, 4,6-Dihydroxy-2-mercaptopyrimidine
| Molecular Formula | C4H4N2O2S |
|---|---|
| Molecular Weight | 144.00 g/mol |
| LogP | -1.0926 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.99934 |
| Heavy Atoms | 9 |
| Complexity | 143.72244 |
Chemical Identifiers
| CAS Number | 15998-99-9 |
|---|---|
| SMILES | C1C(=O)NC(=S)NC1=O |
Product Overview
硫代巴比妥酸 (CAS 15998-99-9), with molecular formula C4H4N2O2S and molecular weight 144.00 g/mol. IUPAC: 2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 硫代巴比妥酸
Property Insights of 硫代巴比妥酸
The XLogP value of -1.0926 indicates that 硫代巴比妥酸 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, 硫代巴比妥酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫代巴比妥酸 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 硫代巴比妥酸?
The CAS number of 硫代巴比妥酸 is 15998-99-9.
What is the molecular formula of 硫代巴比妥酸?
The molecular formula of 硫代巴比妥酸 is C4H4N2O2S.
What is the molecular weight of 硫代巴比妥酸?
The molecular weight of 硫代巴比妥酸 is 144.00 g/mol.
Where can I buy 硫代巴比妥酸?
You can request a quote for 硫代巴比妥酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代巴比妥酸?
Yes, KEHONG BIO provides custom synthesis services for 硫代巴比妥酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.