![5-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid structure](/static/products/6694/66941-69-3.webp)
5-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid
TL;DR: 5-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid (CAS 66941-69-3) is a chemical compound with molecular formula C11H16N2O3S and molecular weight 256.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-ethylsulfanylethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid, 5-(1-ethylsulfanylethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione, 5-[1-(Ethylsulfanyl)ethyl]-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione, 5-[1-(ethylsulfanyl)ethyl]-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1h,3h,5h)-trione
| Molecular Formula | C11H16N2O3S |
|---|---|
| Molecular Weight | 256.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.08817 |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 66941-69-3 |
|---|---|
| SMILES | CCSC(C)C1(C(=O)NC(=O)NC1=O)CC=C |
| InChIKey | MBBJRQFEJDRJCQ-UHFFFAOYSA-N |
Product Overview
5-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid (CAS 66941-69-3), with molecular formula C11H16N2O3S and molecular weight 256.09 g/mol. IUPAC: 5-(1-ethylsulfanylethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid
Property Insights of 5-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid. Following Lipinski's Rule of Five, 5-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid has 2 hydrogen bond donor(s) and 4 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-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid?
The CAS number of 5-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid is 66941-69-3.
What is the molecular formula of 5-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid?
The molecular formula of 5-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid is C11H16N2O3S.
What is the molecular weight of 5-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid?
The molecular weight of 5-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid is 256.09 g/mol.
Where can I buy 5-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid?
You can request a quote for 5-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.