5-(((3-methoxyphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-(((3-methoxyphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 1021262-49-6) is a chemical compound with molecular formula C12H11N3O3S and molecular weight 277.05212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-{[(3-methoxyphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione, F3220-0504, 5-(((3-methoxyphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 6-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one, 5-[(3-methoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Technical Specifications
| Molecular Formula | C12H11N3O3S |
| Molecular Weight | 277.05212 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.05212 Da |
| Heavy Atoms | 19 |
| Complexity | 448.0 |
| SMILES | COC1=CC=CC(=C1)N=CC2=C(NC(=S)NC2=O)O |
| InChIKey | FJNVQGLSQQGBDJ-UHFFFAOYSA-N |
Chemical Property Profile of 5-(((3-methoxyphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-(((3-methoxyphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(((3-methoxyphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(((3-methoxyphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 5-(((3-methoxyphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 3 hydrogen bond donor(s) and 5 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-methoxyphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-(((3-methoxyphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 1021262-49-6.
What is the molecular formula of 5-(((3-methoxyphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-(((3-methoxyphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C12H11N3O3S.
What is the molecular weight of 5-(((3-methoxyphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-(((3-methoxyphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 277.05212 g/mol.
Where can I buy 5-(((3-methoxyphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-(((3-methoxyphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(((3-methoxyphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, CoreyChem provides custom synthesis services for 5-(((3-methoxyphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.