N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea
TL;DR: N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea (CAS 1005641-23-5) is a chemical compound with molecular formula C12H12BrFN4S and molecular weight 341.995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-bromo-2-fluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea
Also Known As: N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea, 1-(4-bromo-2-fluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea, 3-(4-bromo-2-fluoro-phenyl)-1-(1,3-dimethylpyrazol-4-yl)thiourea, 1-(4-bromo-2-fluorophenyl)-3-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea, N-(4-Bromo-2-fluorophenyl)-Na(2)-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea
Technical Specifications
| Molecular Formula | C12H12BrFN4S |
| Molecular Weight | 341.995 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 74.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.995 Da |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
| SMILES | CC1=NN(C=C1NC(=S)NC2=C(C=C(C=C2)Br)F)C |
| InChIKey | UHZSQAMVUQILOQ-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea
Property Insights of N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea. The TPSA of 74.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea. Following Lipinski's Rule of Five, N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea has 2 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 N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea?
The CAS number of N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea is 1005641-23-5.
What is the molecular formula of N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea?
The molecular formula of N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea is C12H12BrFN4S.
What is the molecular weight of N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea?
The molecular weight of N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea is 341.995 g/mol.
Where can I buy N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea?
You can request a quote for N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea?
Yes, CoreyChem provides custom synthesis services for N-(4-Bromo-2-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.