(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate
TL;DR: (4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate (CAS 1020252-44-1) is a chemical compound with molecular formula C16H20BrN3OS2 and molecular weight 413.02313 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl N,N-diethylcarbamodithioate
Also Known As: (4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate, (4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl N,N-diethylcarbamodithioate, N,N-diethyl{[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]sulfanyl}carbothioamide, (4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate, 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methylsulfanyl]-N,N-diethyl-methanethioamide
Technical Specifications
| Molecular Formula | C16H20BrN3OS2 |
| Molecular Weight | 413.02313 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.02313 Da |
| Heavy Atoms | 23 |
| Complexity | 488.0 |
| SMILES | CCN(CC)C(=S)SCC1=C(C(=O)N(N1C)C2=CC=CC=C2)Br |
| InChIKey | QPDDDMKCEFRFGY-UHFFFAOYSA-N |
Chemical Property Profile of (4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate
Property Insights of (4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate
The XLogP value of 4.1 indicates that (4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate. Following Lipinski's Rule of Five, (4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate has 0 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 (4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate?
The CAS number of (4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate is 1020252-44-1.
What is the molecular formula of (4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate?
The molecular formula of (4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate is C16H20BrN3OS2.
What is the molecular weight of (4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate?
The molecular weight of (4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate is 413.02313 g/mol.
Where can I buy (4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate?
You can request a quote for (4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate?
Yes, CoreyChem provides custom synthesis services for (4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.