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5-[(Allylmercapto)methyl]-5-ethylbarbituric acid
TL;DR: 5-[(Allylmercapto)methyl]-5-ethylbarbituric acid (CAS 66941-90-0) is a chemical compound with molecular formula C10H14N2O3S and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-(prop-2-enylsulfanylmethyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-[(Allylmercapto)methyl]-5-ethylbarbituric acid, 5-ethyl-5-(prop-2-enylsulfanylmethyl)-1,3-diazinane-2,4,6-trione, 5-Ethyl-5-{[(prop-2-en-1-yl)sulfanyl]methyl}-1,3-diazinane-2,4,6-trione
| Molecular Formula | C10H14N2O3S |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.07251 |
| Heavy Atoms | 16 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 66941-90-0 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)CSCC=C |
| InChIKey | RZQIQKCJXWIXCQ-UHFFFAOYSA-N |
Product Overview
5-[(Allylmercapto)methyl]-5-ethylbarbituric acid (CAS 66941-90-0), with molecular formula C10H14N2O3S and molecular weight 242.07 g/mol. IUPAC: 5-ethyl-5-(prop-2-enylsulfanylmethyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-[(Allylmercapto)methyl]-5-ethylbarbituric acid
Property Insights of 5-[(Allylmercapto)methyl]-5-ethylbarbituric acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(Allylmercapto)methyl]-5-ethylbarbituric acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(Allylmercapto)methyl]-5-ethylbarbituric acid. Following Lipinski's Rule of Five, 5-[(Allylmercapto)methyl]-5-ethylbarbituric 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-[(Allylmercapto)methyl]-5-ethylbarbituric acid?
The CAS number of 5-[(Allylmercapto)methyl]-5-ethylbarbituric acid is 66941-90-0.
What is the molecular formula of 5-[(Allylmercapto)methyl]-5-ethylbarbituric acid?
The molecular formula of 5-[(Allylmercapto)methyl]-5-ethylbarbituric acid is C10H14N2O3S.
What is the molecular weight of 5-[(Allylmercapto)methyl]-5-ethylbarbituric acid?
The molecular weight of 5-[(Allylmercapto)methyl]-5-ethylbarbituric acid is 242.07 g/mol.
Where can I buy 5-[(Allylmercapto)methyl]-5-ethylbarbituric acid?
You can request a quote for 5-[(Allylmercapto)methyl]-5-ethylbarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(Allylmercapto)methyl]-5-ethylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(Allylmercapto)methyl]-5-ethylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.