3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbothioamide
TL;DR: 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbothioamide (CAS 125187-18-0) is a chemical compound with molecular formula C12H11N3O2S and molecular weight 261.0572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carbothioamide
Also Known As: Maybridge4_002483, 3-methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbothioamide, 3-Methyl-1-phenyl-5-thiocarbamoyluracil, 3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carbothioamide, IDI1_032361
Technical Specifications
| Molecular Formula | C12H11N3O2S |
| Molecular Weight | 261.0572 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 98.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.0572 Da |
| Heavy Atoms | 18 |
| Complexity | 427.0 |
| SMILES | CN1C(=O)C(=CN(C1=O)C2=CC=CC=C2)C(=S)N |
| InChIKey | NXNWXLLEARYNCZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbothioamide
Property Insights of 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbothioamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbothioamide. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbothioamide. Following Lipinski's Rule of Five, 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbothioamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbothioamide?
The CAS number of 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbothioamide is 125187-18-0.
What is the molecular formula of 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbothioamide?
The molecular formula of 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbothioamide is C12H11N3O2S.
What is the molecular weight of 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbothioamide?
The molecular weight of 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbothioamide is 261.0572 g/mol.
Where can I buy 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbothioamide?
You can request a quote for 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbothioamide?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.