![5-[(3-Methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione structure](/static/products/1195/119513-45-0.webp)
5-[(3-Methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
TL;DR: 5-[(3-Methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione (CAS 119513-45-0) is a chemical compound with molecular formula C10H8N2O3S and molecular weight 236.02556 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(3-methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: 5-[(3-methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione, UPCMLD0ENAT5806564:001, F3335-0028, 5-(3-methyl-[2]thienylmethylene)-barbituric acid, AE-848/37031020
Technical Specifications
| Molecular Formula | C10H8N2O3S |
| Molecular Weight | 236.02556 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.02556 Da |
| Heavy Atoms | 16 |
| Complexity | 370.0 |
| SMILES | CC1=C(SC=C1)C=C2C(=O)NC(=O)NC2=O |
| InChIKey | AGWDCSSMPLTUAA-UHFFFAOYSA-N |
Chemical Property Profile of 5-[(3-Methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
Property Insights of 5-[(3-Methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(3-Methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(3-Methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-[(3-Methylthiophen-2-yl)methylidene]-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
What is the CAS number of 5-[(3-Methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The CAS number of 5-[(3-Methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione is 119513-45-0.
What is the molecular formula of 5-[(3-Methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-[(3-Methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione is C10H8N2O3S.
What is the molecular weight of 5-[(3-Methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-[(3-Methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione is 236.02556 g/mol.
Where can I buy 5-[(3-Methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-[(3-Methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-[(3-Methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione?
Yes, CoreyChem provides custom synthesis services for 5-[(3-Methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.