1-(2,5-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea
TL;DR: 1-(2,5-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea (CAS 1038991-62-6) is a chemical compound with molecular formula C12H12Cl2N4S and molecular weight 314.01596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,5-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea
Also Known As: 1-(2,5-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea, 3-(2,5-dichlorophenyl)-1-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea, N-(2,5-DICHLOROPHENYL)-N'-(3,5-DIMETHYL-1H-PYRAZOL-4-YL)THIOUREA
Technical Specifications
| Molecular Formula | C12H12Cl2N4S |
| Molecular Weight | 314.01596 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 84.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.01596 Da |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
| SMILES | CC1=C(C(=NN1)C)NC(=S)NC2=C(C=CC(=C2)Cl)Cl |
| InChIKey | KNBHZKWDXUFSDC-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2,5-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea
Property Insights of 1-(2,5-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea
The XLogP value of 3.4 indicates that 1-(2,5-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,5-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea. Following Lipinski's Rule of Five, 1-(2,5-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(2,5-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea?
The CAS number of 1-(2,5-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea is 1038991-62-6.
What is the molecular formula of 1-(2,5-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea?
The molecular formula of 1-(2,5-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea is C12H12Cl2N4S.
What is the molecular weight of 1-(2,5-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea?
The molecular weight of 1-(2,5-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea is 314.01596 g/mol.
Where can I buy 1-(2,5-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea?
You can request a quote for 1-(2,5-dichlorophenyl)-3-(3,5-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 1-(2,5-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea?
Yes, CoreyChem provides custom synthesis services for 1-(2,5-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.