![5-[1-(Amylmercapto)ethyl]-5-ethyl-2-thiobarbituric acid structure](/static/products/6705/67050-86-6.webp)
5-[1-(Amylmercapto)ethyl]-5-ethyl-2-thiobarbituric acid
TL;DR: 5-[1-(Amylmercapto)ethyl]-5-ethyl-2-thiobarbituric acid (CAS 67050-86-6) is a chemical compound with molecular formula C13H22N2O2S2 and molecular weight 302.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-(1-pentylsulfanylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-[1-(Amylmercapto)ethyl]-5-ethyl-2-thiobarbituric acid, 5-ethyl-5-(1-pentylsulfanylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-Ethyl-5-[1-(pentylsulfanyl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C13H22N2O2S2 |
|---|---|
| Molecular Weight | 302.11 g/mol |
| LogP | 2.2256 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 302.11227 |
| Heavy Atoms | 19 |
| Complexity | 351.65472 |
Chemical Identifiers
| CAS Number | 67050-86-6 |
|---|---|
| SMILES | CCCCCSC(C)C1(C(=O)NC(=S)NC1=O)CC |
Product Overview
5-[1-(Amylmercapto)ethyl]-5-ethyl-2-thiobarbituric acid (CAS 67050-86-6), with molecular formula C13H22N2O2S2 and molecular weight 302.11 g/mol. IUPAC: 5-ethyl-5-(1-pentylsulfanylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-[1-(Amylmercapto)ethyl]-5-ethyl-2-thiobarbituric acid
Property Insights of 5-[1-(Amylmercapto)ethyl]-5-ethyl-2-thiobarbituric acid
The XLogP value of 2.2256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[1-(Amylmercapto)ethyl]-5-ethyl-2-thiobarbituric acid. With a topological polar surface area (TPSA) of 58.2 Ų, 5-[1-(Amylmercapto)ethyl]-5-ethyl-2-thiobarbituric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[1-(Amylmercapto)ethyl]-5-ethyl-2-thiobarbituric 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-(Amylmercapto)ethyl]-5-ethyl-2-thiobarbituric acid?
The CAS number of 5-[1-(Amylmercapto)ethyl]-5-ethyl-2-thiobarbituric acid is 67050-86-6.
What is the molecular formula of 5-[1-(Amylmercapto)ethyl]-5-ethyl-2-thiobarbituric acid?
The molecular formula of 5-[1-(Amylmercapto)ethyl]-5-ethyl-2-thiobarbituric acid is C13H22N2O2S2.
What is the molecular weight of 5-[1-(Amylmercapto)ethyl]-5-ethyl-2-thiobarbituric acid?
The molecular weight of 5-[1-(Amylmercapto)ethyl]-5-ethyl-2-thiobarbituric acid is 302.11 g/mol.
Where can I buy 5-[1-(Amylmercapto)ethyl]-5-ethyl-2-thiobarbituric acid?
You can request a quote for 5-[1-(Amylmercapto)ethyl]-5-ethyl-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-[1-(Amylmercapto)ethyl]-5-ethyl-2-thiobarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[1-(Amylmercapto)ethyl]-5-ethyl-2-thiobarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.