5-(Butylsulfanylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
TL;DR: 5-(Butylsulfanylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CAS 66941-58-0) is a chemical compound with molecular formula C12H18N2O3S and molecular weight 270.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(butylsulfanylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-allyl-5-(butylmercapto-methyl)-barbituric acid, 5-(butylsulfanylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(butylthio)methyl]-5-(2-propenyl)-, 5-[(butylsulfanyl)methyl]-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1h,3h,5h)-trione
| Molecular Formula | C12H18N2O3S |
|---|---|
| Molecular Weight | 270.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 270.10382 |
| Heavy Atoms | 18 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 66941-58-0 |
|---|---|
| SMILES | CCCCSCC1(C(=O)NC(=O)NC1=O)CC=C |
| InChIKey | FQOOLQSUOPHTID-UHFFFAOYSA-N |
Product Overview
5-(Butylsulfanylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CAS 66941-58-0), with molecular formula C12H18N2O3S and molecular weight 270.10 g/mol. IUPAC: 5-(butylsulfanylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(Butylsulfanylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Property Insights of 5-(Butylsulfanylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Butylsulfanylmethyl)-5-prop-2-enyl-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-(Butylsulfanylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-(Butylsulfanylmethyl)-5-prop-2-enyl-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-(Butylsulfanylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The CAS number of 5-(Butylsulfanylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is 66941-58-0.
What is the molecular formula of 5-(Butylsulfanylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-(Butylsulfanylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is C12H18N2O3S.
What is the molecular weight of 5-(Butylsulfanylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-(Butylsulfanylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is 270.10 g/mol.
Where can I buy 5-(Butylsulfanylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-(Butylsulfanylmethyl)-5-prop-2-enyl-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-(Butylsulfanylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(Butylsulfanylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.