![3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide structure](/static/products/314/314757-55-6.png)
3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
TL;DR: 3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 314757-55-6) is a chemical compound with molecular formula C12H12N6O3S and molecular weight 320.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[(2-methyl-6-nitrophenyl)diazenyl]-3-oxo-1H-pyrazole-2-carbothioamide
Also Known As: 3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide, (4E)-3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazinylidene]-5-oxopyrazole-1-carbothioamide, (4Z)-3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazinylidene]-5-oxopyrazole-1-carbothioamide, 3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazinylidene]-5-oxopyrazole-1-carbothioamide, (4E)-3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
| Molecular Formula | C12H12N6O3S |
|---|---|
| Molecular Weight | 320.07 g/mol |
| LogP | 2.20854 |
| Topological Polar Surface Area | 131.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.06915 |
| Heavy Atoms | 22 |
| Complexity | 851.03186 |
Chemical Identifiers
| CAS Number | 314757-55-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)[N+](=O)[O-])N=NC2=C(NN(C2=O)C(=S)N)C |
Product Overview
3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 314757-55-6), with molecular formula C12H12N6O3S and molecular weight 320.07 g/mol. IUPAC: 5-methyl-4-[(2-methyl-6-nitrophenyl)diazenyl]-3-oxo-1H-pyrazole-2-carbothioamide.
Chemical Property Profile of 3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Property Insights of 3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
The XLogP value of 2.20854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide. The TPSA of 131.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide. Following Lipinski's Rule of Five, 3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide has 2 hydrogen bond donor(s) and 6 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 3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The CAS number of 3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide is 314757-55-6.
What is the molecular formula of 3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular formula of 3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide is C12H12N6O3S.
What is the molecular weight of 3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular weight of 3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide is 320.07 g/mol.
Where can I buy 3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide?
You can request a quote for 3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.