5-Ethyl-5-(pentan-2-ylsulfanylmethyl)-1,3-diazinane-2,4,6-trione
TL;DR: 5-Ethyl-5-(pentan-2-ylsulfanylmethyl)-1,3-diazinane-2,4,6-trione (CAS 66968-76-1) is a chemical compound with molecular formula C12H20N2O3S and molecular weight 272.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-(pentan-2-ylsulfanylmethyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-ethyl-5-[(1-methyl-butylmercapto)-methyl]-barbituric acid, 5-ethyl-5-(pentan-2-ylsulfanylmethyl)-1,3-diazinane-2,4,6-trione, 5-ethyl-5-[(pentan-2-ylsulfanyl)methyl]pyrimidine-2,4,6(1h,3h,5h)-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-[[(1-methylbutyl)thio]methyl]-
| Molecular Formula | C12H20N2O3S |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.11948 |
| Heavy Atoms | 18 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 66968-76-1 |
|---|---|
| SMILES | CCCC(C)SCC1(C(=O)NC(=O)NC1=O)CC |
| InChIKey | LTFBSQVREUDCFM-UHFFFAOYSA-N |
Product Overview
5-Ethyl-5-(pentan-2-ylsulfanylmethyl)-1,3-diazinane-2,4,6-trione (CAS 66968-76-1), with molecular formula C12H20N2O3S and molecular weight 272.12 g/mol. IUPAC: 5-ethyl-5-(pentan-2-ylsulfanylmethyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-Ethyl-5-(pentan-2-ylsulfanylmethyl)-1,3-diazinane-2,4,6-trione
Property Insights of 5-Ethyl-5-(pentan-2-ylsulfanylmethyl)-1,3-diazinane-2,4,6-trione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl-5-(pentan-2-ylsulfanylmethyl)-1,3-diazinane-2,4,6-trione. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethyl-5-(pentan-2-ylsulfanylmethyl)-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-Ethyl-5-(pentan-2-ylsulfanylmethyl)-1,3-diazinane-2,4,6-trione 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-Ethyl-5-(pentan-2-ylsulfanylmethyl)-1,3-diazinane-2,4,6-trione?
The CAS number of 5-Ethyl-5-(pentan-2-ylsulfanylmethyl)-1,3-diazinane-2,4,6-trione is 66968-76-1.
What is the molecular formula of 5-Ethyl-5-(pentan-2-ylsulfanylmethyl)-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-Ethyl-5-(pentan-2-ylsulfanylmethyl)-1,3-diazinane-2,4,6-trione is C12H20N2O3S.
What is the molecular weight of 5-Ethyl-5-(pentan-2-ylsulfanylmethyl)-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-Ethyl-5-(pentan-2-ylsulfanylmethyl)-1,3-diazinane-2,4,6-trione is 272.12 g/mol.
Where can I buy 5-Ethyl-5-(pentan-2-ylsulfanylmethyl)-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-Ethyl-5-(pentan-2-ylsulfanylmethyl)-1,3-diazinane-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-5-(pentan-2-ylsulfanylmethyl)-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-5-(pentan-2-ylsulfanylmethyl)-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.