![1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea structure](/static/products/100/1004087-22-2.png)
1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea
TL;DR: 1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea (CAS 1004087-22-2) is a chemical compound with molecular formula C12H11ClN6O3S and molecular weight 354.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea
Also Known As: 1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea, N-({[(3-chlorophenyl)amino]thioxomethyl}amino)(1-methyl-4-nitropyrazol-3-yl)ca rboxamide, N-(3-chlorophenyl)-2-[(1-methyl-4-nitro-1H-pyrazol-3-yl)carbonyl]hydrazinecarbothioamide, N~1~-(3-CHLOROPHENYL)-2-[(1-METHYL-4-NITRO-1H-PYRAZOL-3-YL)CARBONYL]-1-HYDRAZINECARBOTHIOAMIDE
| Molecular Formula | C12H11ClN6O3S |
|---|---|
| Molecular Weight | 354.03 g/mol |
| LogP | 1.6131 |
| Topological Polar Surface Area | 114.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.03018 |
| Heavy Atoms | 23 |
| Complexity | 777.90656 |
Chemical Identifiers
| CAS Number | 1004087-22-2 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(=O)NNC(=S)NC2=CC(=CC=C2)Cl)[N+](=O)[O-] |
Product Overview
1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea (CAS 1004087-22-2), with molecular formula C12H11ClN6O3S and molecular weight 354.03 g/mol. IUPAC: 1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea.
Chemical Property Profile of 1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea
Property Insights of 1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea
The XLogP value of 1.6131 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea. The TPSA of 114.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea. Following Lipinski's Rule of Five, 1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea has 3 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 1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea?
The CAS number of 1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea is 1004087-22-2.
What is the molecular formula of 1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea?
The molecular formula of 1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea is C12H11ClN6O3S.
What is the molecular weight of 1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea?
The molecular weight of 1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea is 354.03 g/mol.
Where can I buy 1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea?
You can request a quote for 1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-chlorophenyl)-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.