1,3-Diethyl-2-thiobarbituric acid
TL;DR: 1,3-Diethyl-2-thiobarbituric acid (CAS 5217-47-0) 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.
1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 1,3-Diethyl-2-thiobarbituric acid, 1,3-Diethylthiobarbituric acid, N,N'-Diethylthiobarbituric acid, Diethylthiobarbituric acid, N,N'-Diethyl-2-thiobarbituric acid
| Molecular Formula | C8H12N2O2S |
|---|---|
| Molecular Weight | 200.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.06195 |
| Heavy Atoms | 13 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 5217-47-0 |
|---|---|
| SMILES | CCN1C(=O)CC(=O)N(C1=S)CC |
| InChIKey | SHBTUGJAKBRBBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diethyl-2-thiobarbituric acid (CAS 5217-47-0), with molecular formula C8H12N2O2S and molecular weight 200.06 g/mol. IUPAC: 1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 1,3-Diethyl-2-thiobarbituric acid
Property Insights of 1,3-Diethyl-2-thiobarbituric acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl-2-thiobarbituric acid. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diethyl-2-thiobarbituric acid. Following Lipinski's Rule of Five, 1,3-Diethyl-2-thiobarbituric acid has 0 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 1,3-Diethyl-2-thiobarbituric acid?
The CAS number of 1,3-Diethyl-2-thiobarbituric acid is 5217-47-0.
What is the molecular formula of 1,3-Diethyl-2-thiobarbituric acid?
The molecular formula of 1,3-Diethyl-2-thiobarbituric acid is C8H12N2O2S.
What is the molecular weight of 1,3-Diethyl-2-thiobarbituric acid?
The molecular weight of 1,3-Diethyl-2-thiobarbituric acid is 200.06 g/mol.
Where can I buy 1,3-Diethyl-2-thiobarbituric acid?
You can request a quote for 1,3-Diethyl-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 1,3-Diethyl-2-thiobarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl-2-thiobarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.