5-Butyl-2-thiobarbituric acid
TL;DR: 5-Butyl-2-thiobarbituric acid (CAS 74669-22-0) is a chemical compound with molecular formula C8H12N2O2S and molecular weight 200.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: ChemDiv3_002650, 5-butyl-2-thiobarbituric acid, 5-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-butyl-2-thioxo-hexahydropyrimidine-4,6-quinone, 5-butyl-2-thioxo-1,3,5-trihydropyrimidine-4,6-dione
| Molecular Formula | C8H12N2O2S |
|---|---|
| Molecular Weight | 200.06 g/mol |
| LogP | 0.3237 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.06195 |
| Heavy Atoms | 13 |
| Complexity | 232.52858 |
Chemical Identifiers
| CAS Number | 74669-22-0 |
|---|---|
| SMILES | CCCCC1C(=O)NC(=S)NC1=O |
Product Overview
5-Butyl-2-thiobarbituric acid (CAS 74669-22-0), with molecular formula C8H12N2O2S and molecular weight 200.06 g/mol. IUPAC: 5-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-Butyl-2-thiobarbituric acid
Property Insights of 5-Butyl-2-thiobarbituric acid
The XLogP value of 0.3237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Butyl-2-thiobarbituric acid. With a topological polar surface area (TPSA) of 58.2 Ų, 5-Butyl-2-thiobarbituric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Butyl-2-thiobarbituric acid 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-Butyl-2-thiobarbituric acid?
The CAS number of 5-Butyl-2-thiobarbituric acid is 74669-22-0.
What is the molecular formula of 5-Butyl-2-thiobarbituric acid?
The molecular formula of 5-Butyl-2-thiobarbituric acid is C8H12N2O2S.
What is the molecular weight of 5-Butyl-2-thiobarbituric acid?
The molecular weight of 5-Butyl-2-thiobarbituric acid is 200.06 g/mol.
Where can I buy 5-Butyl-2-thiobarbituric acid?
You can request a quote for 5-Butyl-2-thiobarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Butyl-2-thiobarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Butyl-2-thiobarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.