Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-
TL;DR: Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl- (CAS 123629-44-7) is a chemical compound with molecular formula C13H13BrN2OS and molecular weight 323.9932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(4-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
Also Known As: Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-, 1-[4-(4-BROMOPHENYL)-6-METHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL]ETHAN-1-ONE, 1-(4-(4-Bromophenyl)-6-methyl-2-thioxo-3,4-tetrahydropyrimidin-5-yl)ethanone (1b), 1-[4-(4-Bromophenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinyl]ethanone, 1-[4-(4-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
Technical Specifications
| Molecular Formula | C13H13BrN2OS |
| Molecular Weight | 323.9932 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.9932 Da |
| Heavy Atoms | 18 |
| Complexity | 400.0 |
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)Br)C(=O)C |
| InChIKey | LHKBFVBCKFOSTM-UHFFFAOYSA-N |
Chemical Property Profile of Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-
Property Insights of Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-. Following Lipinski's Rule of Five, Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-?
The CAS number of Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl- is 123629-44-7.
What is the molecular formula of Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-?
The molecular formula of Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl- is C13H13BrN2OS.
What is the molecular weight of Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-?
The molecular weight of Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl- is 323.9932 g/mol.
Where can I buy Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-?
You can request a quote for Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-?
Yes, CoreyChem provides custom synthesis services for Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.