5-(Ethylsulfanylmethyl)-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
TL;DR: 5-(Ethylsulfanylmethyl)-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione (CAS 67051-08-5) 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-(ethylsulfanylmethyl)-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-(ethylmercapto-methyl)-5-isobutyl-1-methyl-barbituric acid, Sodium 5-(ethylthiomethyl)-5-isobutyl-1-methylbarbiturate, 5-(ethylsulfanylmethyl)-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione, 5-(Ethylthiomethyl)-5-isobutyl-1-methylbarbituric acid sodium salt, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(ethylthio)methyl]-1-methyl-5-(2-methylpropyl)-
| Molecular Formula | C12H20N2O3S |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.11948 |
| Heavy Atoms | 18 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 67051-08-5 |
|---|---|
| SMILES | CCSCC1(C(=O)NC(=O)N(C1=O)C)CC(C)C |
| InChIKey | GYHMMGBLVSQADK-UHFFFAOYSA-N |
Product Overview
5-(Ethylsulfanylmethyl)-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione (CAS 67051-08-5), with molecular formula C12H20N2O3S and molecular weight 272.12 g/mol. IUPAC: 5-(ethylsulfanylmethyl)-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(Ethylsulfanylmethyl)-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
Property Insights of 5-(Ethylsulfanylmethyl)-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Ethylsulfanylmethyl)-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Ethylsulfanylmethyl)-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-(Ethylsulfanylmethyl)-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione has 1 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-(Ethylsulfanylmethyl)-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione?
The CAS number of 5-(Ethylsulfanylmethyl)-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione is 67051-08-5.
What is the molecular formula of 5-(Ethylsulfanylmethyl)-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-(Ethylsulfanylmethyl)-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione is C12H20N2O3S.
What is the molecular weight of 5-(Ethylsulfanylmethyl)-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-(Ethylsulfanylmethyl)-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione is 272.12 g/mol.
Where can I buy 5-(Ethylsulfanylmethyl)-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-(Ethylsulfanylmethyl)-1-methyl-5-(2-methylpropyl)-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-(Ethylsulfanylmethyl)-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(Ethylsulfanylmethyl)-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.