![3-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione structure](/static/products/1005/1005562-96-8.webp)
3-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
TL;DR: 3-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione (CAS 1005562-96-8) is a chemical compound with molecular formula C17H20BrN5S and molecular weight 405.0623 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 3-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione, 5-[1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol, 5-[1-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-2H-1,2,4-triazole-3-thione, 5-[2-(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1-METHYLETHYL]-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
Technical Specifications
| Molecular Formula | C17H20BrN5S |
| Molecular Weight | 405.0623 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.0623 Da |
| Heavy Atoms | 24 |
| Complexity | 513.0 |
| SMILES | CC1=CC=CC=C1N2C(=NNC2=S)C(C)CN3C(=C(C(=N3)C)Br)C |
| InChIKey | AZXRLGJPYIDMQV-UHFFFAOYSA-N |
Chemical Property Profile of 3-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
Property Insights of 3-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 3.8 indicates that 3-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione 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-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 3-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione is 1005562-96-8.
What is the molecular formula of 3-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione is C17H20BrN5S.
What is the molecular weight of 3-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione is 405.0623 g/mol.
Where can I buy 3-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione?
Yes, CoreyChem provides custom synthesis services for 3-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.