![4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide structure](/static/products/2617/26178-98-3.webp)
4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide
TL;DR: 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide (CAS 26178-98-3) is a chemical compound with molecular formula C13H15N5OS and molecular weight 289.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide
Also Known As: (4Z)-4-[(2,6-dimethylphenyl)hydrazinylidene]-3-methyl-5-oxop, 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide, 4-[(2,6-dimethylphenyl)hydrazinylidene]-3-methyl-5-oxopyrazole-1-carbothioamide, (4E)-4-[2-(2,6-Dimethylphenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
| Molecular Formula | C13H15N5OS |
|---|---|
| Molecular Weight | 289.10 g/mol |
| LogP | 2.60876 |
| Topological Polar Surface Area | 88.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.09973 |
| Heavy Atoms | 20 |
| Complexity | 736.35736 |
Chemical Identifiers
| CAS Number | 26178-98-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N=NC2=C(NN(C2=O)C(=S)N)C |
Product Overview
4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide (CAS 26178-98-3), with molecular formula C13H15N5OS and molecular weight 289.10 g/mol. IUPAC: 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide.
Chemical Property Profile of 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide
Property Insights of 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide
The XLogP value of 2.60876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide. The TPSA of 88.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide. Following Lipinski's Rule of Five, 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide?
The CAS number of 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide is 26178-98-3.
What is the molecular formula of 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide?
The molecular formula of 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide is C13H15N5OS.
What is the molecular weight of 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide?
The molecular weight of 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide is 289.10 g/mol.
Where can I buy 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide?
You can request a quote for 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.