![2-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide structure](/static/products/104/1044538-06-8.png)
2-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide
TL;DR: 2-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide (CAS 1044538-06-8) 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.
1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea
Also Known As: 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea, (5-methylpyrazol-3-yl)-N-({[(4-nitrophenyl)amino]thioxomethyl}amino)carboxamid e, 2-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide, 2-[(5-METHYL-1H-PYRAZOL-3-YL)CARBONYL]-N~1~-(4-NITROPHENYL)-1-HYDRAZINECARBOTHIOAMIDE
| Molecular Formula | C12H12N6O3S |
|---|---|
| Molecular Weight | 320.07 g/mol |
| LogP | 1.25772 |
| Topological Polar Surface Area | 124.98 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.06915 |
| Heavy Atoms | 22 |
| Complexity | 711.9066 |
Chemical Identifiers
| CAS Number | 1044538-06-8 |
|---|---|
| SMILES | CC1=CC(=NN1)C(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide (CAS 1044538-06-8), with molecular formula C12H12N6O3S and molecular weight 320.07 g/mol. IUPAC: 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea.
Chemical Property Profile of 2-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide
Property Insights of 2-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide
The XLogP value of 1.25772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide. The TPSA of 124.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide has 4 hydrogen bond donor(s) and 5 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 2-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide?
The CAS number of 2-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide is 1044538-06-8.
What is the molecular formula of 2-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide?
The molecular formula of 2-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide is C12H12N6O3S.
What is the molecular weight of 2-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide?
The molecular weight of 2-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide is 320.07 g/mol.
Where can I buy 2-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide?
You can request a quote for 2-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.