5-乙基-5-丁硫基甲基-2-硫代巴比妥酸
TL;DR: 5-乙基-5-丁硫基甲基-2-硫代巴比妥酸 (CAS 115-59-3) is a chemical compound with molecular formula C11H18N2O2S2 and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-乙基-5-丁硫基甲基-2-硫代巴比妥酸
5-(butylsulfanylmethyl)-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: Thionarcon, Tionarcon, Tionarcon [Italian], 5-((Butylthio)methyl)-5-ethyl-2-thiobarbituric acid, 4-25-00-00433 (Beilstein Handbook Reference)
| Molecular Formula | C11H18N2O2S2 |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 1.447 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.08096 |
| Heavy Atoms | 17 |
| Complexity | 311.4331 |
Chemical Identifiers
| CAS Number | 115-59-3 |
|---|---|
| SMILES | CCCCSCC1(C(=O)NC(=S)NC1=O)CC |
Product Overview
5-乙基-5-丁硫基甲基-2-硫代巴比妥酸 (CAS 115-59-3), with molecular formula C11H18N2O2S2 and molecular weight 274.08 g/mol. IUPAC: 5-(butylsulfanylmethyl)-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-乙基-5-丁硫基甲基-2-硫代巴比妥酸
Property Insights of 5-乙基-5-丁硫基甲基-2-硫代巴比妥酸
The XLogP value of 1.447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-乙基-5-丁硫基甲基-2-硫代巴比妥酸. With a topological polar surface area (TPSA) of 58.2 Ų, 5-乙基-5-丁硫基甲基-2-硫代巴比妥酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-乙基-5-丁硫基甲基-2-硫代巴比妥酸 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-乙基-5-丁硫基甲基-2-硫代巴比妥酸?
The CAS number of 5-乙基-5-丁硫基甲基-2-硫代巴比妥酸 is 115-59-3.
What is the molecular formula of 5-乙基-5-丁硫基甲基-2-硫代巴比妥酸?
The molecular formula of 5-乙基-5-丁硫基甲基-2-硫代巴比妥酸 is C11H18N2O2S2.
What is the molecular weight of 5-乙基-5-丁硫基甲基-2-硫代巴比妥酸?
The molecular weight of 5-乙基-5-丁硫基甲基-2-硫代巴比妥酸 is 274.08 g/mol.
Where can I buy 5-乙基-5-丁硫基甲基-2-硫代巴比妥酸?
You can request a quote for 5-乙基-5-丁硫基甲基-2-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 5-乙基-5-丁硫基甲基-2-硫代巴比妥酸?
Yes, KEHONG BIO provides custom synthesis services for 5-乙基-5-丁硫基甲基-2-硫代巴比妥酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.